Syntheses and crystal structures of di­chlorido­(2,6-di­methyl­pyrazine-κN)(methanol-κO)zinc(II), di­bromido­(2,6-di­methyl­pyrazine-κN)(methanol-κO)zinc(II) and aqua­(2,6-di­methyl­pyrazine-κN)di­iodido­zinc(II)

Näther, C.

doi:10.1107/S2056989026002902

research communications

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ISSN: 2056-9890

Volume 82| Part 4| April 2026| Pages 388-393

https://doi.org/10.1107/S2056989026002902

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Syntheses and crystal structures of dichlorido(2,6-dimethylpyrazine-κN)(methanol-κO)zinc(II), dibromido(2,6-dimethylpyrazine-κN)(methanol-κO)zinc(II) and aqua(2,6-dimethylpyrazine-κN)diiodidozinc(II)

Christian Näther ^a ^*

^aInstitut für Anorganische Chemie, Universität Kiel, Max-Eyth.-Str. 2, 24118 Kiel, Germany
^*Correspondence e-mail: [email protected]

Edited by W. T. A. Harrison, University of Aberdeen, United Kingdom (Received 17 March 2026; accepted 19 March 2026; online 24 March 2026)

Three new compounds with the compositions [ZnCl₂(C₆H₈N₂)(CH₃OH)] (1), [ZnBr₂(C₆H₈N₂)(CH₃OH)] (2) and [ZnI₂(C₆H₈N₂)(H₂O)] (3) were prepared (C₆H₈N₂ = 2,6-dimethylpyrazine). The asymmetric unit of each compound consists of one Zn^II cation, two halide anions, one 2,6-dimethylpyrazine ligand and one methanol (1 and 2) or water molecule (3), with all atoms located in general positions. Compounds 1 and 2 are not isostructural. In the crystal structures, the metal cations are fourfold coordinated by two halide anions, one 2,6-dimethylpyrazine ligand and one methanol or water molecule within a slightly distorted tetrahedral geometry. In 1 and 2 the discrete complexes are linked into chains via O—H⋯O hydrogen bonds between the O—H H atom of the methanol molecule and the 2,6-dimethylpyrazine N atom that is not involved in the metal coordination. These chains are further linked by weak C—H⋯Cl (1) or C—H⋯Br (2) interactions. In 3, two complexes are linked by pairwise O—H⋯I hydrogen bonds into centrosymmetric dimeric units that are further connected by strong O—H⋯O hydrogen bonding between the second water H atom and the 2,6-dimethylpyrazine N-atom that is adjacent to the two methyl groups.

Keywords: crystal structure; discrete complex; hydrogen bonding; synthesis; zinc halide; 2,6-dimethylpyrazine.

CCDC references: 2539127; 2539126; 2539125

1. Chemical context

Coordination compounds based on transition metal halides and N-donor coligands shows versatile structural behavior, which is especially the case for Cu^I halides (Kromp & Sheldrick, 1999 ; Peng et al., 2010 ; Li et al., 2005 ; Näther et al., 2001 , 2002 ). For one definite N-donor ligand and one definite halide anion, compounds of a different ratio between the metal halide and the coligand are observed in many cases (Näther & Jess, 2002 ).

In contrast, compounds based on twofold positively charged cations such as Zn^II show a limited structural behavior because in most cases only a tetrahedral coordination is observed, leading to discrete complexes if monocoordinating coligands are used. However, there are a few examples for polymeric compounds, in which the Zn^II cations are in an octahedral coordination and linked into chains by μ-1,1-bridging halide anions (Pickardt & Staub, 1997 ; Saha et al., 2017 ). Nevertheless, even for metals showing tetrahedral coordination, compounds with a different stoichiometry and more condensed networks can be obtained if bridging instead of monocoordinating coligands such as, for example, pyrazine are used. With this ligand, compounds with the composition ZnX₂(pyrazine)₂ (X = Cl, Br) and ZnX₂(pyrazine) (X = Cl, Br, I) have been reported (Bhosekar et al., 2006 ; Bourne et al., 200; Pickardt & Staub, 1997; Song et al., 2004 ). In all of these compounds, the pyrazine ligand acts as bridging ligand.

In the course of our systematic investigations in this area, we became interested in ZnX₂ compounds based on 2,3-dimethylpyrazine. Because the methyl group is adjacent to the N atom, coordination of metal cations might be more difficult. In contrast to the pyrazine compounds, when ZnCl₂ and 2,3-dimethylpyrazine were reacted, two compounds with the composition ZnCl₂(2,3-dimethylpyrazine)₂ and ZnCl₂(2,3-dimethylpyrazine) were observed (Näther & Bhosekar, 2025a ). The 2,3-dimethylpyrazine-rich compound consists of discrete tetrahedral complexes, in which the coligand is only terminally coordinated, whereas in the 2,3-dimethylpyrazine deficient compound the tetrahedra are linked into chains by bridging 2,3-dimethylpyrazine ligands. The corresponding bromide compounds ZnBr₂(2,3-dimethylpyrazine)₂ (Yang et al., 2025 ) and ZnBr₂(2,3-dimethylpyrazine) (Näther & Bhosekar, 2025b ) have also been reported. With ZnI₂, only the 2,3-dimethylpyrazine-deficient compound ZnI₂(2,3-dimethylpyrazine was found, which forms discrete complexes and which is isotypic to ZnBr₂(2,3-dimethylpyrazine) (Näther & Bhosekar, 2026 ).

Based on these results, we decided to prepare compounds with 2,6-dimethylpyrazine (C₆H₈N₂), in which one of the N atoms is adjacent to both methyl groups, which make a metal coordination even more difficult. In this context, it is noted that one compound with the composition ZnI₂(2,6-dimethylpyrazine)₂ is already reported, which consists of discrete complexes in which the metal cations are coordinated by two iodide anions and two terminal 2,6-dimethylpyrazine ligands (Lee et al., 2008 ). As expected, the 2,6-dimethylpyrazine ligand coordinates with the N atom that is not adjacent to the two methyl groups. As part of these investigations, we prepared and isolated crystals of the three title compounds, which were characterized by single crystal X-ray diffraction.

2. Structural commentary

The asymmetric units of ZnCl₂(C₆H₈N₂)(CH₃OH) (1) and of ZnBr₂(C₆H₈N₂)(CH₃OH) (2) consist of one Zn^II cation, two crystallographically independent halide anions, one 2,6-dimethylpyrazine ligand and one methanol molecule, with all atoms lying on general crystallographic positions (Fig. 1). Compounds 1 (space group P $[\overline{1}]$ ) and 2 (space group P2₁/n) are not isostructural.

Figure 1
Crystal structures of 1 with labeling and displacement ellipsoids drawn at the 50% probability level.

In the crystal structures, the metal cations are tetrahedrally coordinated by two halide anions, one methanol molecule and one 2,6-dimethylpyrazine ligand that is coordinated by the N atom that is not adjacent to the methyl groups (Fig. 1). Bond lengths and angles shows that the tetrahedra are strongly distorted with the halide–Zn–halide angles showing the largest values (Tables 1 and 2).

Table 1
Selected geometric parameters (Å, °) for 1

Zn1—Cl1	2.2088 (11)	Zn1—O1	2.024 (3)
Zn1—Cl2	2.2008 (10)	Zn1—N2	2.064 (3)

Cl2—Zn1—Cl1	122.64 (4)	O1—Zn1—N2	102.15 (11)
O1—Zn1—Cl1	106.68 (9)	N2—Zn1—Cl1	108.38 (9)
O1—Zn1—Cl2	104.91 (9)	N2—Zn1—Cl2	110.06 (9)

Table 2
Selected geometric parameters (Å, °) for 2

Zn1—Br1	2.3533 (5)	Zn1—O1	2.003 (2)
Zn1—Br2	2.3334 (5)	Zn1—N2	2.075 (3)

Br2—Zn1—Br1	123.16 (2)	O1—Zn1—N2	103.06 (11)
O1—Zn1—Br1	110.09 (9)	N2—Zn1—Br1	105.94 (7)
O1—Zn1—Br2	101.02 (7)	N2—Zn1—Br2	111.81 (8)

The asymmetric unit of ZnI₂(C₆H₈N₂)(H₂O) (3) consists of one Zn^II cation, two iodide anions, one 2,6-dimethylpyrazine ligand and one water molecule in general positions (Fig. 2). The metal cations are fourfold coordinated by two halide anions, one 2,6-dimethylpyrazine ligand and one water molecule (Fig. 1: bottom). As in compounds 1 and 2, the coordination polyhedra can be described as strongly distorted tetrahedra (Table 3).

Table 3
Selected geometric parameters (Å, °) for 3

Zn1—I1	2.5557 (5)	Zn1—O1	2.022 (3)
Zn1—I2	2.5352 (5)	Zn1—N2	2.077 (3)

I2—Zn1—I1	121.276 (18)	O1—Zn1—N2	97.32 (12)
O1—Zn1—I1	103.93 (8)	N2—Zn1—I1	113.23 (9)
O1—Zn1—I2	112.16 (8)	N2—Zn1—I2	106.39 (9)

Figure 2
Crystal structures of 2 with labeling and displacement ellipsoids drawn at the 50% probability level.

As expected, in all three compounds the 2,6-dimethylpyrazine ligand is coordinated to the zinc cations with the N2 nitrogen atom that is not adjacent to the two methyl groups because of steric crowding and this might also be the reason why no compounds with bridging 2,6-dimethylpyrazine ligands were isolated. This is in contrast to, for example, compounds with 2,3-dimethylpyrazine such as ZnCl₂(2,3-dimethylpyrazine) (Näther & Bhosekar, 2025a) and ZnBr₂(2,3-dimethylpyrazine) (Näther & Bhosekar, 2025b) in which the metal centers are linked by the 2,3-dimethylpyrazine ligands.

3. Supramolecular features

In compound 1 and 2, the discrete complexes are linked via O—H⋯N hydrogen bonds between the hydroxyl H atom of the methanol molecule and the 2,6-dimethylpyrazine N atom that is not involved in the metal coordination (Fig. 3 and Tables 4 and 5). The O—H⋯N bond angles are close to linear and the H⋯N distances below 2 Å, indicating strong hydrogen bonds (Tables 4 and 5). The geometry of the chains in 1 and 2 is slightly different because of a different rotation of the methanol molecule and the 2,6 dimethylpyrazine ligands.

Table 4
Hydrogen-bond geometry (Å, °) for 1

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1⋯N1ⁱ	0.84 (2)	1.90 (2)	2.738 (4)	173 (5)
C3—H3⋯Cl2ⁱⁱ	0.95	2.86	3.721 (4)	152
C5—H5B⋯Cl1ⁱⁱⁱ	0.98	2.84	3.721 (4)	150
C5—H5C⋯Cl1^iv	0.98	2.88	3.842 (4)	168
C6—H6A⋯Cl2^iv	0.98	2.98	3.929 (4)	163
C6—H6B⋯Cl2ⁱⁱ	0.98	2.82	3.767 (4)	163
C7—H7A⋯Cl2^v	0.98	2.98	3.876 (5)	153
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) .

Table 5
Hydrogen-bond geometry (Å, °) for 2

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1⋯N1ⁱ	0.83 (2)	1.84 (2)	2.677 (3)	178 (5)
C11—H11A⋯Br2ⁱⁱ	0.98	3.13	3.767 (4)	124
C11—H11C⋯Br1ⁱⁱⁱ	0.98	2.88	3.807 (4)	157
C2—H2⋯Br1^iv	0.95	3.12	3.994 (3)	153
C3—H3⋯Br1	0.95	3.05	3.626 (3)	121
C5—H5B⋯Br1^iv	0.98	2.95	3.903 (4)	166
Symmetry codes: (i) $[x-{\script{1\over 2}}, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (ii) $[x-{\script{1\over 2}}, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ ; (iii) ; (iv) $[-x+{\script{3\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ .

Figure 3
Crystal structure of 3 with labeling and displacement ellipsoids drawn at the 50% probability level.

These chains are interlinked by a number of C—H⋯Cl and C—H⋯Br hydrogen bonds. The C—H⋯X angles (X = Cl, Br), especially for the chloride compound, are mostly close to linear, indicating stronger interactions (Figs. 4 and 5 and Tables 4 and 5).

Figure 4
Crystal structure of 1 (top) and 2 (bottom) with view of a part of a chain. Intermolecular O—H⋯N hydrogen bonds are shown as dashed lines.

Figure 5
Crystal structure of 1 (top) and 2 (bottom) with view along the crystallographic a-axis direction and hydrogen bonds shown as dashed lines.

In compound 3, two complexes are linked into dimers by centrosymmetric pairs of O—H⋯I hydrogen bonds between one of the water H atoms and the iodide anions, generating eight-membered rings. The O—H⋯I angle of 172 (5)° and the H⋯I distance of only 2.70 (2) Å indicate relatively strong hydrogen bonding (Fig. 6 and Table 6). These dimers are linked by strong O—H⋯N hydrogen bonds between the second water H atom and the 2,6-dimethylpyrazine ligands that are not involved in the metal coordination (Fig. 7 and Table 6). There are additional C—H⋯I interactions with much longer H⋯I distances indicating only weak interactions.

Table 6
Hydrogen-bond geometry (Å, °) for 3

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1A⋯I1ⁱ	0.86 (2)	2.70 (2)	3.555 (3)	172 (5)
O1—H1B⋯N1ⁱⁱ	0.85 (2)	1.87 (2)	2.708 (4)	172 (5)
C2—H2⋯I2	0.95	3.22	3.776 (4)	119
C5—H5A⋯I2ⁱⁱⁱ	0.98	3.25	4.207 (5)	165
Symmetry codes: (i) ; (ii) $[x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (iii) $[x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ .

Figure 6
Crystal structure of 3 with view of a dimeric unit and C—H⋯I and O—H⋯N hydrogen bonds shown as dashed lines.

Figure 7
Crystal structure of 3 with view along the crystallographic a-axis direction and intermolecular hydrogen bonding shown as dashed lines.

4. Database survey

A literature search revealed that only one coordination compound with Zn halides and 2,6-dimethylpyrazine is reported in the CSD (Version 5.43, 2025; Groom et al., 2016 ) using CONQUEST (Bruno et al., 2002 ). This is ZnI₂(2,6-dimethylpyrazine)₂ (CSD refcode XIYGIW; Lee et al., 2008), in which the Zn cations are coordinated by two iodide anions and two terminal 2,6-dimethylpyrazine ligands into discrete complexes. Many more compounds are reported with pyrazine. These include ZnCl₂(pyrazine)₂ (REMPAB, Bhosekar et al., 2006) and ZnBr₂(pyrazine)₂ (EBOLAI, Bourne et al., 2001 and EBOLAI01, Bhosekar et al., 2006) and ZnX₂(pyrazine) [X = Cl (TISTAQ, Pickardt & Staub, 1996 ), Br (EBOKUB, Bourne et al., 2001) and I (ISOPOV, Song et al., 2004 and ISOPOV01, Bhosekar et al., 2006)].

5. Synthesis and crystallization

General

Zinc chloride, zinc bromide and zinc iodide as well as 2,6-dimethylpyrazine were purchased from Sigma-Aldrich.

Synthesis of 1

0.500 mmol (68.1 mg) of zinc chloride and 1.00 mmol (108.1 mg 2,6-of dimethylpyrazine were reacted in 3 ml of methanol. Within 2 d, crystals were obtained suitable for single crystal X-ray diffraction.

Synthesis of 2

0.500 mmol (112.6 mg) of zinc bromide and 1.00 mmol (108.1 mg) of 2,6-dimethylpyrazine were reacted in 3 ml of methanol. Within 3 d, crystals were obtained suitable for single crystal X-ray diffraction.

Synthesis of 3

0.500 mmol (159.6 mg) of zinc iodide and 1.00 mmol (108.1 mg) of 2,6-dimethylpyrazine were reacted in 3 mL of a water/methanol mixture (1:1). Within 2 d, crystals were obtained suitable for single crystal X-ray diffraction.

6. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 7. The C—H hydrogen atoms were positioned with idealized geometry (methyl H atoms allowed to rotate but not to tip) and were refined isotropically with U_iso(H) = 1.2 U_eq(C) (1.5 for methyl H atoms).

Table 7
Experimental details

	1	2	3
Crystal data
Chemical formula	[ZnCl₂(C₆H₈N₂)(CH₄O)]	[ZnBr₂(C₆H₈N₂)(CH₄O)]	[ZnI₂(C₆H₈N₂)(H₂O)]
M_r	276.46	365.38	445.33
Crystal system, space group	Triclinic, P $[\overline{1}]$	Monoclinic, P2₁/n	Monoclinic, P2₁/n
Temperature (K)	170	170	170
a, b, c (Å)	6.0481 (6), 7.4627 (7), 12.9967 (13)	7.1931 (5), 15.2428 (9), 11.4186 (6)	7.3914 (5), 14.7767 (8), 10.9917 (7)
α, β, γ (°)	89.945 (12), 85.471 (12), 74.710 (11)	90, 103.937 (7), 90	90, 94.883 (8), 90
V (Å³)	563.96 (10)	1215.11 (13)	1196.16 (13)
Z	2	4	4
Radiation type	Mo Kα	Mo Kα	Mo Kα
μ (mm⁻¹)	2.62	8.57	7.18
Crystal size (mm)	0.22 × 0.18 × 0.16	0.12 × 0.10 × 0.08	0.12 × 0.08 × 0.06

Data collection
Diffractometer	Stoe IPDS2	Stoe IPDS2	Stoe IPDS2
Absorption correction	Numerical (X-RED and X-SHAPE; Stoe, 2008 )	Numerical (X-RED and X-SHAPE; Stoe, 2008)	Numerical (X-RED and X-SHAPE; Stoe, 2008)
T_min, T_max	0.655, 0.765	0.236, 0.357	0.295, 0.510
No. of measured, independent and observed [I > 2σ(I)] reflections	5812, 2675, 2223	10027, 2943, 2434	12550, 2880, 2477
R_int	0.048	0.031	0.040
(sin θ/λ)_max (Å⁻¹)	0.660	0.662	0.661

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.046, 0.132, 1.05	0.031, 0.078, 1.02	0.028, 0.070, 1.03
No. of reflections	2675	2943	2880
No. of parameters	125	125	118
No. of restraints	1	1	3
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement	H atoms treated by a mixture of independent and constrained refinement	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	1.36, −1.32	0.47, −0.61	0.78, −0.93
Computer programs: X-AREA (Stoe, 2008), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), DIAMOND (Brandenburg, 1999 ), XP in SHELXTL-PC (Sheldrick, 2008 ) and publCIF (Westrip, 2010 ).

Supporting information

CCDC references: 2539127; 2539126; 2539125

Crystal structure: contains datablocks 1, 2, 3. DOI: https://doi.org/10.1107/S2056989026002902/hb8204sup1.cif

Structure factors: contains datablock 1. DOI: https://doi.org/10.1107/S2056989026002902/hb82041sup2.hkl

Structure factors: contains datablock 2. DOI: https://doi.org/10.1107/S2056989026002902/hb82042sup3.hkl

Structure factors: contains datablock 3. DOI: https://doi.org/10.1107/S2056989026002902/hb82043sup4.hkl

checkCIF report

Computing details top

Dichlorido(2,6-dimethylpyrazine-κN)(methanol-κO)zinc(II) (1) top

Crystal data top

[ZnCl₂(C₆H₈N₂)(CH₄O)]	Z = 2
M_r = 276.46	F(000) = 280
Triclinic, P1	D_x = 1.628 Mg m⁻³
a = 6.0481 (6) Å	Mo Kα radiation, λ = 0.71073 Å
b = 7.4627 (7) Å	Cell parameters from 2716 reflections
c = 12.9967 (13) Å	θ = 2.9–28.1°
α = 89.945 (12)°	µ = 2.62 mm⁻¹
β = 85.471 (12)°	T = 170 K
γ = 74.710 (11)°	Block, colorless
V = 563.96 (10) Å³	0.22 × 0.18 × 0.16 mm

Data collection top

Stoe IPDS-2 diffractometer	2223 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.048
ω scans	θ_max = 28.0°, θ_min = 2.8°
Absorption correction: numerical (X-Red and X-Shape; Stoe, 2008)	h = −7→7
T_min = 0.655, T_max = 0.765	k = −9→9
5812 measured reflections	l = −17→17
2675 independent reflections

Refinement top

Refinement on F²	Hydrogen site location: mixed
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F² > 2σ(F²)] = 0.046	w = 1/[σ²(F_o²) + (0.0889P)² + 0.0814P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.132	(Δ/σ)_max = 0.001
S = 1.05	Δρ_max = 1.36 e Å⁻³
2675 reflections	Δρ_min = −1.32 e Å⁻³
125 parameters	Extinction correction: SHELXL-2016/6 (Sheldrick 2015b), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
1 restraint	Extinction coefficient: 0.028 (5)
Primary atom site location: dual

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Zn1	1.02256 (6)	0.32540 (5)	0.25117 (3)	0.01229 (18)
Cl1	1.18124 (16)	0.30675 (14)	0.09118 (8)	0.0246 (3)
Cl2	1.21156 (16)	0.35079 (14)	0.38598 (8)	0.0241 (3)
O1	0.9178 (4)	0.0914 (4)	0.2745 (2)	0.0172 (6)
H1	1.028 (6)	−0.005 (5)	0.270 (4)	0.026*
N1	0.2974 (5)	0.7935 (4)	0.2674 (2)	0.0124 (6)
N2	0.7144 (5)	0.5283 (4)	0.2586 (2)	0.0133 (6)
C1	0.3971 (6)	0.7158 (5)	0.1768 (3)	0.0132 (7)
C2	0.6088 (6)	0.5818 (5)	0.1728 (3)	0.0139 (7)
H2	0.678622	0.528008	0.108048	0.017*
C3	0.6139 (6)	0.6067 (5)	0.3488 (3)	0.0140 (7)
H3	0.687547	0.570667	0.410353	0.017*
C4	0.4018 (6)	0.7410 (5)	0.3542 (3)	0.0133 (7)
C5	0.2791 (7)	0.7769 (6)	0.0814 (3)	0.0215 (8)
H5A	0.144983	0.726829	0.079890	0.032*
H5B	0.385738	0.730979	0.020628	0.032*
H5C	0.229148	0.912884	0.080948	0.032*
C6	0.2844 (7)	0.8266 (6)	0.4547 (3)	0.0221 (8)
H6A	0.237284	0.962092	0.448915	0.033*
H6B	0.390538	0.792852	0.509089	0.033*
H6C	0.148516	0.781027	0.472088	0.033*
C7	0.7388 (7)	0.0526 (6)	0.2186 (4)	0.0287 (10)
H7A	0.594142	0.147234	0.236440	0.043*
H7B	0.720038	−0.070144	0.237140	0.043*
H7C	0.780465	0.054397	0.144286	0.043*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Zn1	0.0077 (2)	0.0089 (2)	0.0179 (3)	0.00237 (15)	−0.00194 (15)	−0.00016 (15)
Cl1	0.0228 (5)	0.0263 (5)	0.0199 (5)	−0.0002 (4)	0.0051 (4)	0.0030 (4)
Cl2	0.0205 (5)	0.0272 (5)	0.0253 (5)	−0.0052 (4)	−0.0105 (4)	−0.0016 (4)
O1	0.0106 (12)	0.0105 (12)	0.0289 (15)	0.0007 (9)	−0.0032 (11)	0.0025 (11)
N1	0.0081 (13)	0.0080 (13)	0.0199 (16)	0.0000 (10)	−0.0013 (11)	0.0022 (11)
N2	0.0076 (13)	0.0114 (14)	0.0179 (15)	0.0028 (11)	−0.0016 (11)	0.0002 (11)
C1	0.0111 (15)	0.0083 (15)	0.0196 (18)	−0.0010 (12)	−0.0038 (13)	0.0000 (13)
C2	0.0110 (15)	0.0099 (16)	0.0181 (17)	0.0020 (12)	−0.0011 (13)	−0.0018 (13)
C3	0.0119 (15)	0.0114 (16)	0.0160 (17)	0.0024 (13)	−0.0030 (13)	0.0004 (13)
C4	0.0123 (16)	0.0104 (15)	0.0157 (17)	−0.0007 (12)	−0.0004 (13)	0.0012 (13)
C5	0.0200 (18)	0.0208 (19)	0.0194 (19)	0.0038 (15)	−0.0077 (15)	−0.0019 (15)
C6	0.0184 (18)	0.023 (2)	0.0178 (19)	0.0062 (15)	0.0004 (15)	−0.0009 (15)
C7	0.0178 (19)	0.020 (2)	0.049 (3)	−0.0050 (16)	−0.0101 (18)	−0.0034 (19)

Geometric parameters (Å, º) top

Zn1—Cl1	2.2088 (11)	C3—H3	0.9500
Zn1—Cl2	2.2008 (10)	C3—C4	1.401 (5)
Zn1—O1	2.024 (3)	C4—C6	1.495 (5)
Zn1—N2	2.064 (3)	C5—H5A	0.9800
O1—H1	0.841 (19)	C5—H5B	0.9800
O1—C7	1.439 (5)	C5—H5C	0.9800
N1—C1	1.339 (5)	C6—H6A	0.9800
N1—C4	1.343 (5)	C6—H6B	0.9800
N2—C2	1.337 (5)	C6—H6C	0.9800
N2—C3	1.338 (5)	C7—H7A	0.9800
C1—C2	1.398 (4)	C7—H7B	0.9800
C1—C5	1.491 (5)	C7—H7C	0.9800
C2—H2	0.9500

Cl2—Zn1—Cl1	122.64 (4)	N1—C4—C3	119.8 (3)
O1—Zn1—Cl1	106.68 (9)	N1—C4—C6	118.4 (3)
O1—Zn1—Cl2	104.91 (9)	C3—C4—C6	121.8 (3)
O1—Zn1—N2	102.15 (11)	C1—C5—H5A	109.5
N2—Zn1—Cl1	108.38 (9)	C1—C5—H5B	109.5
N2—Zn1—Cl2	110.06 (9)	C1—C5—H5C	109.5
Zn1—O1—H1	113 (4)	H5A—C5—H5B	109.5
C7—O1—Zn1	121.7 (2)	H5A—C5—H5C	109.5
C7—O1—H1	107 (3)	H5B—C5—H5C	109.5
C1—N1—C4	119.4 (3)	C4—C6—H6A	109.5
C2—N2—Zn1	120.4 (2)	C4—C6—H6B	109.5
C2—N2—C3	118.5 (3)	C4—C6—H6C	109.5
C3—N2—Zn1	121.1 (2)	H6A—C6—H6B	109.5
N1—C1—C2	120.1 (3)	H6A—C6—H6C	109.5
N1—C1—C5	118.6 (3)	H6B—C6—H6C	109.5
C2—C1—C5	121.3 (3)	O1—C7—H7A	109.5
N2—C2—C1	121.0 (3)	O1—C7—H7B	109.5
N2—C2—H2	119.5	O1—C7—H7C	109.5
C1—C2—H2	119.5	H7A—C7—H7B	109.5
N2—C3—H3	119.5	H7A—C7—H7C	109.5
N2—C3—C4	121.1 (3)	H7B—C7—H7C	109.5
C4—C3—H3	119.5

Zn1—N2—C2—C1	178.4 (3)	C1—N1—C4—C6	−178.6 (3)
Zn1—N2—C3—C4	−178.3 (3)	C2—N2—C3—C4	0.5 (5)
N1—C1—C2—N2	0.4 (6)	C3—N2—C2—C1	−0.4 (5)
N2—C3—C4—N1	−0.4 (6)	C4—N1—C1—C2	−0.3 (5)
N2—C3—C4—C6	178.5 (4)	C4—N1—C1—C5	−179.6 (3)
C1—N1—C4—C3	0.4 (5)	C5—C1—C2—N2	179.6 (4)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···N1ⁱ	0.84 (2)	1.90 (2)	2.738 (4)	173 (5)
C3—H3···Cl2ⁱⁱ	0.95	2.86	3.721 (4)	152
C5—H5B···Cl1ⁱⁱⁱ	0.98	2.84	3.721 (4)	150
C5—H5C···Cl1^iv	0.98	2.88	3.842 (4)	168
C6—H6A···Cl2^iv	0.98	2.98	3.929 (4)	163
C6—H6B···Cl2ⁱⁱ	0.98	2.82	3.767 (4)	163
C7—H7A···Cl2^v	0.98	2.98	3.876 (5)	153

Symmetry codes: (i) x+1, y−1, z; (ii) −x+2, −y+1, −z+1; (iii) −x+2, −y+1, −z; (iv) x−1, y+1, z; (v) x−1, y, z.

Dibromido(2,6-dimethylpyrazine-κN)(methanol-κO)zinc(II) (2) top

Crystal data top

[ZnBr₂(C₆H₈N₂)(CH₄O)]	F(000) = 704
M_r = 365.38	D_x = 1.997 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
a = 7.1931 (5) Å	Cell parameters from 8000 reflections
b = 15.2428 (9) Å	θ = 7.2–27.3°
c = 11.4186 (6) Å	µ = 8.57 mm⁻¹
β = 103.937 (7)°	T = 170 K
V = 1215.11 (13) Å³	Block, colorless
Z = 4	0.12 × 0.10 × 0.08 mm

Data collection top

Stoe IPDS-2 diffractometer	2434 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.031
ω scans	θ_max = 28.1°, θ_min = 2.3°
Absorption correction: numerical (X-Red and X-Shape; Stoe, 2008)	h = −9→9
T_min = 0.236, T_max = 0.357	k = −20→20
10027 measured reflections	l = −13→15
2943 independent reflections

Refinement top

Refinement on F²	Hydrogen site location: mixed
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F² > 2σ(F²)] = 0.031	w = 1/[σ²(F_o²) + (0.0515P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.078	(Δ/σ)_max = 0.001
S = 1.02	Δρ_max = 0.47 e Å⁻³
2943 reflections	Δρ_min = −0.61 e Å⁻³
125 parameters	Extinction correction: SHELXL-2016/6 (Sheldrick 2015b), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
1 restraint	Extinction coefficient: 0.0084 (7)
Primary atom site location: dual

Special details top

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Zn1	0.62772 (5)	0.63072 (2)	0.71740 (3)	0.01889 (11)
Br1	0.73136 (5)	0.48630 (2)	0.69719 (3)	0.02990 (12)
Br2	0.72234 (5)	0.71163 (3)	0.89530 (3)	0.03381 (12)
O1	0.3423 (3)	0.6336 (2)	0.6914 (2)	0.0344 (6)
H1	0.308 (7)	0.660 (3)	0.747 (4)	0.052*
C11	0.1921 (5)	0.5986 (3)	0.6012 (3)	0.0309 (7)
H11A	0.107236	0.646053	0.562825	0.046*
H11B	0.119366	0.556534	0.637516	0.046*
H11C	0.245122	0.568677	0.540544	0.046*
N1	0.7234 (4)	0.78592 (19)	0.3686 (2)	0.0220 (5)
N2	0.6734 (4)	0.69914 (17)	0.5698 (2)	0.0188 (5)
C1	0.7187 (4)	0.8310 (2)	0.4688 (3)	0.0228 (6)
C2	0.6960 (4)	0.7861 (2)	0.5705 (3)	0.0217 (6)
H2	0.696644	0.817979	0.642087	0.026*
C3	0.6748 (4)	0.6556 (2)	0.4683 (3)	0.0213 (6)
H3	0.656328	0.593891	0.465830	0.026*
C4	0.7024 (4)	0.6984 (2)	0.3666 (3)	0.0229 (6)
C5	0.7385 (7)	0.9290 (2)	0.4656 (4)	0.0410 (9)
H5A	0.861314	0.944069	0.447765	0.062*
H5B	0.733555	0.953631	0.544044	0.062*
H5C	0.633628	0.953363	0.402749	0.062*
C6	0.7132 (6)	0.6496 (3)	0.2544 (3)	0.0341 (8)
H6A	0.656530	0.685392	0.183474	0.051*
H6B	0.642639	0.594258	0.250431	0.051*
H6C	0.847488	0.637298	0.255916	0.051*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Zn1	0.01907 (18)	0.02417 (19)	0.01512 (19)	−0.00124 (13)	0.00745 (13)	0.00053 (13)
Br1	0.0435 (2)	0.02313 (17)	0.02577 (19)	0.00434 (13)	0.01359 (15)	0.00339 (13)
Br2	0.02469 (18)	0.0514 (2)	0.02468 (19)	−0.00688 (15)	0.00469 (13)	−0.01538 (15)
O1	0.0184 (10)	0.0626 (18)	0.0240 (12)	−0.0024 (11)	0.0089 (9)	−0.0233 (12)
C11	0.0277 (16)	0.039 (2)	0.0248 (17)	−0.0036 (14)	0.0036 (13)	−0.0066 (15)
N1	0.0188 (12)	0.0312 (14)	0.0174 (13)	−0.0020 (10)	0.0072 (10)	0.0038 (11)
N2	0.0192 (12)	0.0229 (12)	0.0159 (12)	−0.0003 (10)	0.0070 (10)	0.0019 (10)
C1	0.0231 (15)	0.0269 (16)	0.0204 (15)	−0.0034 (12)	0.0092 (12)	0.0013 (12)
C2	0.0214 (14)	0.0276 (16)	0.0180 (15)	−0.0034 (12)	0.0090 (12)	0.0003 (12)
C3	0.0229 (14)	0.0224 (15)	0.0200 (15)	−0.0008 (11)	0.0077 (12)	−0.0015 (12)
C4	0.0206 (14)	0.0301 (16)	0.0204 (15)	−0.0008 (12)	0.0095 (12)	0.0012 (12)
C5	0.065 (3)	0.0275 (18)	0.034 (2)	−0.0106 (18)	0.0197 (19)	0.0004 (16)
C6	0.047 (2)	0.037 (2)	0.0227 (17)	−0.0013 (17)	0.0177 (16)	−0.0036 (15)

Geometric parameters (Å, º) top

Zn1—Br1	2.3533 (5)	C1—C2	1.391 (4)
Zn1—Br2	2.3334 (5)	C1—C5	1.503 (5)
Zn1—O1	2.003 (2)	C2—H2	0.9500
Zn1—N2	2.075 (3)	C3—H3	0.9500
O1—H1	0.833 (19)	C3—C4	1.387 (4)
O1—C11	1.406 (4)	C4—C6	1.499 (5)
C11—H11A	0.9800	C5—H5A	0.9800
C11—H11B	0.9800	C5—H5B	0.9800
C11—H11C	0.9800	C5—H5C	0.9800
N1—C1	1.342 (4)	C6—H6A	0.9800
N1—C4	1.343 (4)	C6—H6B	0.9800
N2—C2	1.335 (4)	C6—H6C	0.9800
N2—C3	1.337 (4)

Br2—Zn1—Br1	123.16 (2)	N2—C2—C1	121.4 (3)
O1—Zn1—Br1	110.09 (9)	N2—C2—H2	119.3
O1—Zn1—Br2	101.02 (7)	C1—C2—H2	119.3
O1—Zn1—N2	103.06 (11)	N2—C3—H3	119.2
N2—Zn1—Br1	105.94 (7)	N2—C3—C4	121.7 (3)
N2—Zn1—Br2	111.81 (8)	C4—C3—H3	119.2
Zn1—O1—H1	112 (4)	N1—C4—C3	119.4 (3)
C11—O1—Zn1	132.8 (2)	N1—C4—C6	118.6 (3)
C11—O1—H1	115 (4)	C3—C4—C6	122.0 (3)
O1—C11—H11A	109.5	C1—C5—H5A	109.5
O1—C11—H11B	109.5	C1—C5—H5B	109.5
O1—C11—H11C	109.5	C1—C5—H5C	109.5
H11A—C11—H11B	109.5	H5A—C5—H5B	109.5
H11A—C11—H11C	109.5	H5A—C5—H5C	109.5
H11B—C11—H11C	109.5	H5B—C5—H5C	109.5
C1—N1—C4	119.8 (3)	C4—C6—H6A	109.5
C2—N2—Zn1	122.5 (2)	C4—C6—H6B	109.5
C2—N2—C3	118.1 (3)	C4—C6—H6C	109.5
C3—N2—Zn1	119.4 (2)	H6A—C6—H6B	109.5
N1—C1—C2	119.5 (3)	H6A—C6—H6C	109.5
N1—C1—C5	117.8 (3)	H6B—C6—H6C	109.5
C2—C1—C5	122.7 (3)

Zn1—N2—C2—C1	−177.3 (2)	C1—N1—C4—C6	−178.5 (3)
Zn1—N2—C3—C4	179.2 (2)	C2—N2—C3—C4	1.2 (5)
N1—C1—C2—N2	−1.9 (5)	C3—N2—C2—C1	0.6 (5)
N2—C3—C4—N1	−1.8 (5)	C4—N1—C1—C2	1.3 (4)
N2—C3—C4—C6	177.1 (3)	C4—N1—C1—C5	−178.7 (3)
C1—N1—C4—C3	0.5 (4)	C5—C1—C2—N2	178.1 (3)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···N1ⁱ	0.83 (2)	1.84 (2)	2.677 (3)	178 (5)
C11—H11A···Br2ⁱⁱ	0.98	3.13	3.767 (4)	124
C11—H11C···Br1ⁱⁱⁱ	0.98	2.88	3.807 (4)	157
C2—H2···Br1^iv	0.95	3.12	3.994 (3)	153
C3—H3···Br1	0.95	3.05	3.626 (3)	121
C5—H5B···Br1^iv	0.98	2.95	3.903 (4)	166

Symmetry codes: (i) x−1/2, −y+3/2, z+1/2; (ii) x−1/2, −y+3/2, z−1/2; (iii) −x+1, −y+1, −z+1; (iv) −x+3/2, y+1/2, −z+3/2.

Aqua(2,6-dimethylpyrazine-κN)diiodidozinc(II) (3) top

Crystal data top

[ZnI₂(C₆H₈N₂)(H₂O)]	F(000) = 816
M_r = 445.33	D_x = 2.473 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
a = 7.3914 (5) Å	Cell parameters from 7998 reflections
b = 14.7767 (8) Å	θ = 8.5–27.1°
c = 10.9917 (7) Å	µ = 7.18 mm⁻¹
β = 94.883 (8)°	T = 170 K
V = 1196.16 (13) Å³	Block, colorless
Z = 4	0.12 × 0.08 × 0.06 mm

Data collection top

Stoe IPDS-2 diffractometer	2477 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.040
ω scans	θ_max = 28.0°, θ_min = 2.3°
Absorption correction: numerical (X-Red and X-Shape; Stoe, 2008)	h = −9→9
T_min = 0.295, T_max = 0.510	k = −19→19
12550 measured reflections	l = −14→14
2880 independent reflections

Refinement top

Refinement on F²	Hydrogen site location: mixed
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F² > 2σ(F²)] = 0.028	w = 1/[σ²(F_o²) + (0.0479P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.070	(Δ/σ)_max < 0.001
S = 1.02	Δρ_max = 0.78 e Å⁻³
2880 reflections	Δρ_min = −0.93 e Å⁻³
118 parameters	Extinction correction: SHELXL-2016/6 (Sheldrick 2015b), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
3 restraints	Extinction coefficient: 0.0043 (3)
Primary atom site location: dual

Special details top

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Zn1	0.73068 (6)	0.45260 (3)	0.33652 (4)	0.01746 (11)
I1	0.70914 (3)	0.61402 (2)	0.41751 (2)	0.02247 (9)
I2	0.92934 (4)	0.41488 (2)	0.16648 (2)	0.03004 (10)
O1	0.4691 (4)	0.41616 (19)	0.2948 (3)	0.0225 (6)
H1A	0.417 (7)	0.412 (3)	0.361 (3)	0.034*
H1B	0.433 (7)	0.371 (2)	0.252 (4)	0.034*
N1	0.8726 (4)	0.2232 (2)	0.6430 (3)	0.0184 (6)
N2	0.7913 (4)	0.3577 (2)	0.4732 (3)	0.0183 (6)
C1	0.8679 (5)	0.2047 (3)	0.5226 (3)	0.0208 (7)
C2	0.8277 (5)	0.2728 (2)	0.4380 (3)	0.0211 (7)
H2	0.825714	0.259317	0.353358	0.025*
C3	0.7957 (5)	0.3750 (2)	0.5925 (3)	0.0185 (7)
H3	0.770384	0.434435	0.619252	0.022*
C4	0.8369 (5)	0.3069 (2)	0.6790 (3)	0.0187 (7)
C5	0.9078 (7)	0.1104 (3)	0.4843 (4)	0.0292 (9)
H5A	1.024937	0.091071	0.524392	0.044*
H5B	0.912702	0.108462	0.395508	0.044*
H5C	0.811997	0.069732	0.507787	0.044*
C6	0.8398 (8)	0.3260 (3)	0.8127 (4)	0.0356 (10)
H6A	0.762378	0.282163	0.850627	0.053*
H6B	0.794385	0.387313	0.824971	0.053*
H6C	0.964498	0.320920	0.850212	0.053*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Zn1	0.0199 (2)	0.01571 (19)	0.0166 (2)	0.00201 (15)	0.00033 (16)	0.00198 (15)
I1	0.02262 (14)	0.01846 (13)	0.02691 (14)	−0.00292 (9)	0.00547 (10)	−0.00573 (9)
I2	0.03415 (17)	0.03106 (16)	0.02667 (15)	0.00725 (11)	0.01290 (11)	0.00196 (10)
O1	0.0219 (14)	0.0237 (13)	0.0218 (13)	−0.0040 (11)	0.0014 (11)	−0.0067 (11)
N1	0.0185 (15)	0.0168 (14)	0.0198 (15)	−0.0022 (12)	0.0012 (12)	0.0032 (11)
N2	0.0176 (15)	0.0172 (14)	0.0196 (14)	0.0044 (12)	−0.0009 (12)	0.0056 (12)
C1	0.0211 (18)	0.0201 (17)	0.0208 (17)	−0.0003 (14)	−0.0008 (14)	0.0002 (14)
C2	0.0241 (19)	0.0201 (17)	0.0183 (17)	0.0001 (14)	−0.0032 (15)	0.0011 (14)
C3	0.0184 (17)	0.0157 (15)	0.0217 (17)	0.0034 (13)	0.0036 (14)	−0.0006 (13)
C4	0.0197 (18)	0.0195 (17)	0.0170 (16)	0.0022 (14)	0.0029 (13)	0.0048 (13)
C5	0.043 (3)	0.0177 (17)	0.0255 (19)	0.0012 (17)	−0.0035 (18)	−0.0024 (15)
C6	0.059 (3)	0.032 (2)	0.0159 (19)	0.008 (2)	0.0074 (19)	0.0014 (16)

Geometric parameters (Å, º) top

Zn1—I1	2.5557 (5)	C1—C5	1.492 (5)
Zn1—I2	2.5352 (5)	C2—H2	0.9500
Zn1—O1	2.022 (3)	C3—H3	0.9500
Zn1—N2	2.077 (3)	C3—C4	1.400 (5)
O1—H1A	0.858 (19)	C4—C6	1.495 (5)
O1—H1B	0.849 (19)	C5—H5A	0.9800
N1—C1	1.349 (5)	C5—H5B	0.9800
N1—C4	1.331 (5)	C5—H5C	0.9800
N2—C2	1.347 (5)	C6—H6A	0.9800
N2—C3	1.334 (5)	C6—H6B	0.9800
C1—C2	1.385 (5)	C6—H6C	0.9800

I2—Zn1—I1	121.276 (18)	N2—C3—H3	119.5
O1—Zn1—I1	103.93 (8)	N2—C3—C4	121.0 (3)
O1—Zn1—I2	112.16 (8)	C4—C3—H3	119.5
O1—Zn1—N2	97.32 (12)	N1—C4—C3	120.2 (3)
N2—Zn1—I1	113.23 (9)	N1—C4—C6	118.7 (3)
N2—Zn1—I2	106.39 (9)	C3—C4—C6	121.0 (3)
Zn1—O1—H1A	108 (3)	C1—C5—H5A	109.5
Zn1—O1—H1B	126 (4)	C1—C5—H5B	109.5
H1A—O1—H1B	106 (4)	C1—C5—H5C	109.5
C4—N1—C1	119.4 (3)	H5A—C5—H5B	109.5
C2—N2—Zn1	117.2 (2)	H5A—C5—H5C	109.5
C3—N2—Zn1	124.6 (2)	H5B—C5—H5C	109.5
C3—N2—C2	118.2 (3)	C4—C6—H6A	109.5
N1—C1—C2	119.8 (3)	C4—C6—H6B	109.5
N1—C1—C5	118.5 (3)	C4—C6—H6C	109.5
C2—C1—C5	121.6 (3)	H6A—C6—H6B	109.5
N2—C2—C1	121.3 (3)	H6A—C6—H6C	109.5
N2—C2—H2	119.3	H6B—C6—H6C	109.5
C1—C2—H2	119.3

Zn1—N2—C2—C1	−179.4 (3)	C1—N1—C4—C6	179.0 (4)
Zn1—N2—C3—C4	179.7 (3)	C2—N2—C3—C4	0.0 (5)
N1—C1—C2—N2	−0.6 (6)	C3—N2—C2—C1	0.3 (6)
N2—C3—C4—N1	0.0 (6)	C4—N1—C1—C2	0.6 (6)
N2—C3—C4—C6	−179.3 (4)	C4—N1—C1—C5	−179.8 (4)
C1—N1—C4—C3	−0.3 (5)	C5—C1—C2—N2	179.8 (4)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···I1ⁱ	0.86 (2)	2.70 (2)	3.555 (3)	172 (5)
O1—H1B···N1ⁱⁱ	0.85 (2)	1.87 (2)	2.708 (4)	172 (5)
C2—H2···I2	0.95	3.22	3.776 (4)	119
C5—H5A···I2ⁱⁱⁱ	0.98	3.25	4.207 (5)	165

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x−1/2, −y+1/2, z−1/2; (iii) x+1/2, −y+1/2, z+1/2.

Acknowledgements

Financial support by the State of Schleswig-Holstein is gratefully acknowledged.

References

Bhosekar, G., Jess, I. & Näther, C. (2006). Inorg. Chem. 45, 6508–6515. Web of Science CSD CrossRef PubMed CAS Google Scholar
Bourne, S. A., Kilkenny, M. & Nassimbeni, L. R. (2001). J. Chem. Soc. Dalton Trans. pp. 1176–1179. Web of Science CSD CrossRef Google Scholar
Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany. Google Scholar
Bruno, I. J., Cole, J. C., Edgington, P. R., Kessler, M., Macrae, C. F., McCabe, P., Pearson, J. & Taylor, R. (2002). Acta Cryst. B58, 389–397. Web of Science CrossRef CAS IUCr Journals Google Scholar
Groom, C. R., Bruno, I. J., Lightfoot, M. P. & Ward, S. C. (2016). Acta Cryst. B72, 171–179. Web of Science CrossRef IUCr Journals Google Scholar
Kromp, T. & Sheldrick, W. S. (1999). Z. Naturforsch. B 54, 1175–1180. CrossRef CAS Google Scholar
Lee, S. H., Kim, S.-H., Kim, P.-G., Kim, C. & Kim, Y. (2008). Acta Cryst. E64, m511. Web of Science CSD CrossRef IUCr Journals Google Scholar
Li, D., Shi, W. J. & Hou, L. (2005). Inorg. Chem. 44, 3907–3913. Web of Science CSD CrossRef PubMed CAS Google Scholar
Näther, C. & Bhosekar, G. (2025a). Acta Cryst. E81, 694–698. Web of Science CSD CrossRef IUCr Journals Google Scholar
Näther, C. & Bhosekar, G. (2025b). Acta Cryst. E81, 928–931. Web of Science CSD CrossRef IUCr Journals Google Scholar
Näther, C. & Bhosekar, G. (2026). Acta Cryst. E82, 244–248. CSD CrossRef IUCr Journals Google Scholar
Näther, C., Greve, J. & Jess, I. (2002). Solid State Sci. 4, 813–820. Google Scholar
Näther, C. & Jess, I. (2002). J. Solid State Chem. 169, 103–112. Web of Science CSD CrossRef Google Scholar
Näther, C., Jess, I. & Greve, J. (2001). Polyhedron 20, 1017–1022. Google Scholar
Peng, R., Li, M. & Li, D. (2010). Coord. Chem. Rev. 254, 1–18. Web of Science CrossRef CAS Google Scholar
Pickardt, J. & Staub, B. (1996). Z. Naturforsch B51, 947–951. CrossRef Google Scholar
Pickardt, J. & Staub, B. (1997). Z. Naturforsch B52, 1456–1460. Web of Science CrossRef Google Scholar
Saha, B. K., Rather, S. A. & Saha, A. (2017). Eur. J. Inorg. Chem. 3390–3394. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Sheldrick, G. M. (2015a). Acta Cryst. A71, 3–8. Web of Science CrossRef IUCr Journals Google Scholar
Sheldrick, G. M. (2015b). Acta Cryst. C71, 3–8. Web of Science CrossRef IUCr Journals Google Scholar
Song, Y., Niu, Y., Hou, H. & Zhu, Y. (2004). J. Mol. Struct. 689, 69–74. Web of Science CSD CrossRef CAS Google Scholar
Stoe (2008). X-AREA X-RED and X-SHAPE. Stoe & Cie, Darmstadt, Germany. Google Scholar
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920–925. Web of Science CrossRef CAS IUCr Journals Google Scholar
Yang, C., Zheng, J., Xu, C., Xiao, C., Chang, Y., Zhou, L. & Gong, X. (2025). Chem. Commun. 61, 4379–4382. Web of Science CSD CrossRef CAS Google Scholar

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Volume 82| Part 4| April 2026| Pages 388-393

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research communications\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Syntheses and crystal structures of di­chlorido­(2,6-di­methyl­pyrazine-κN)(methanol-κO)zinc(II), di­bromido­(2,6-di­methyl­pyrazine-κN)(methanol-κO)zinc(II) and aqua­(2,6-di­methyl­pyrazine-κN)di­iodido­zinc(II)

1. Chemical context

2. Structural commentary

3. Supra­molecular features

4. Database survey

5. Synthesis and crystallization

6. Refinement

Supporting information

Acknowledgements

References

research communications

Syntheses and crystal structures of dichlorido(2,6-dimethylpyrazine-κN)(methanol-κO)zinc(II), dibromido(2,6-dimethylpyrazine-κN)(methanol-κO)zinc(II) and aqua(2,6-dimethylpyrazine-κN)diiodidozinc(II)

3. Supramolecular features