Diaqua­bis­{5-(pyridin-2-yl-κN)-3-[4-(pyridin-4-yl)phen­yl]-1H-1,2,4-triazol-1-ido-κN1}cobalt(II)

Li, B.

doi:10.1107/S1600536813003243

metal-organic compounds

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Volume 69| Part 3| March 2013| Page m141

doi:10.1107/S1600536813003243

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Diaquabis{5-(pyridin-2-yl-κN)-3-[4-(pyridin-4-yl)phenyl]-1H-1,2,4-triazol-1-ido-κN¹}cobalt(II)

Bin Li ^a ^*

^aAdvanced Material Institute of Research, Department of Chemistry and Chemical Engineering, Qilu Normal University, Jinan 250013, People's Republic of China
^*Correspondence e-mail: libin_qlnu@yahoo.com.cn

(Received 29 January 2013; accepted 31 January 2013; online 6 February 2013)

In the centrosymmetic title complex, [Co(C₁₈H₁₂N₅)₂(H₂O)₂], the Co^II ion is coordinated by two N,N′-bidentate 5-(pyridin-2-yl)-3-[4-(pyridin-4-yl)phenyl]-1H-1,2,4-triazol-1-ide ligands and two water molecules in a trans-CoO₂N₄ coordination geometry. In the ligand, the dihedral angles between the triazole ring and its adjacent pyridine and benzene rings are 5.57 (14) and 6.89 (16)°, respectively. In the crystal, molecules are linked by O—H⋯N hydrogen bonds, generating a three-dimensional network.

Related literature

For background to coordination complexes, see: Li et al. (2007 ); Zhang et al. (2012a ,b ); Fan et al. (2013 ).

Experimental

Crystal data

[Co(C₁₈H₁₂N₅)₂(H₂O)₂]
M_r = 691.61
Monoclinic, P 2₁ /c
a = 13.2407 (17) Å
b = 11.9355 (16) Å
c = 9.8644 (13) Å
β = 101.158 (1)°
V = 1529.4 (3) Å³
Z = 2
Mo Kα radiation
μ = 0.62 mm⁻¹
T = 296 K
0.12 × 0.10 × 0.08 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001 ) T_min = 0.930, T_max = 0.953
10448 measured reflections
2703 independent reflections
2227 reflections with I > 2σ(I)
R_int = 0.030

Refinement

R[F² > 2σ(F²)] = 0.046
wR(F²) = 0.139
S = 1.00
2703 reflections
229 parameters
3 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 1.05 e Å⁻³
Δρ_min = −0.39 e Å⁻³

Table 1
Selected bond lengths (Å)

Co1—N2	2.057 (2)
Co1—N1	2.130 (2)
Co1—O1	2.181 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1W⋯N4ⁱ	0.82 (1)	1.98 (1)	2.783 (3)	168 (4)
O1—H2W⋯N5ⁱⁱ	0.82 (1)	2.46 (3)	3.196 (4)	150 (5)
Symmetry codes: (i) $[-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) x-1, y, z-1.

Data collection: APEX2 (Bruker, 2004 ); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536813003243/hb7033sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536813003243/hb7033Isup2.hkl

checkCIF report

Comment top

The design and synthesis of coordination complexes have attracted upsurging research interest not only because of their appealing structural and topological novelty but also owing to their tremendous potential applications in gas storage, microelectronics, ion exchange, chemical separations, nonlinear optics and heterogeneous catalysis. (Li et al., 2007; Zhang et al., 2012a,b; Fan et al., 2013). Here, we report one new compound: Co(H₂O)₂(C₁₈H₁₂N₅)₂, obtained from the solvothermal reaction of 2-(3-(4-(pyridin-4- yl)phenyl)-1H-1,2,4-triazol-5-yl)pyridine and cobalt chloride.

The title compound, Co(H₂O)₂(C₁₈H₁₂N₅)₂, consists of of a half of Co(II), a half of depornated 2-(3-(4-(pyridin-4- yl)phenyl)-1H-1,2,4-triazol-5-yl)pyridine, and one associated water molecule. Co(1) owns a distorted octahedral coordination geometry, completed by four N atoms from two depornated 2-(3-(4-(pyridin-4- yl)phenyl)-1H-1,2,4-triazol-5-yl)pyridine and two O atoms from two water molecules (Figure 1). The Co—O distance is 2.181 (2) Å. The Co—N distances are varying from 2.057 (2)—2.130 (2) Å. O—H···N hydrogen bonding in the packing diagram leads to a consolidation of the structure (Fig. 2; Table 2) .

Related literature top

For background to coordination complexes, see: Li et al. (2007); Zhang et al. (2012a,b); Fan et al. (2013).

Experimental top

A mixture of 2-(3-(4-(pyridin-4- yl)phenyl)-1H-1,2,4-triazol-5-yl)pyridine (0.20 mmol, 0.060 g), cobalt(II) nitrate hexahydrate (0.40 mmol, 0.116 g), NaOH (0.20 mmol, 0.008 g) and 12 ml H₂O was placed in a Teflon-lined stainless steel vessel, heated to 170 C for 3 days, followed by slow cooling (a descent rate of 10 C/h) to room temperature. Red blocks were obtained. Anal. Calc. for C₃₆H₂₈CoN₁₀O₂: C 65.52, H 4.08, N 20.25%; Found: C 65.45, H 4.02, N 20.22%.

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. The title compound with displacement ellipsoids drawn at the 30% probability level. Unlabelled atoms are generated by the symmetry operation (1-x, -y, -z).
	Fig. 2. The crystal packing of the title compound, displayed with hydrogen bonds as dashed lines.

Diaquabis{5-(pyridin-2-yl-κN)-3-[4-(pyridin-4-yl)phenyl]-1H-1,2,4-triazol-1-ido-κN¹}cobalt(II) top

Crystal data top

[Co(C₁₈H₁₂N₅)₂(H₂O)₂]	F(000) = 714
M_r = 691.61	D_x = 1.502 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 3600 reflections
a = 13.2407 (17) Å	θ = 2.3–26.5°
b = 11.9355 (16) Å	µ = 0.62 mm⁻¹
c = 9.8644 (13) Å	T = 296 K
β = 101.158 (1)°	Block, red
V = 1529.4 (3) Å³	0.12 × 0.10 × 0.08 mm
Z = 2

Data collection top

Bruker APEXII CCD diffractometer	2703 independent reflections
Radiation source: fine-focus sealed tube	2227 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.030
ω scans	θ_max = 25.0°, θ_min = 2.3°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −15→15
T_min = 0.930, T_max = 0.953	k = −13→14
10448 measured reflections	l = −11→11

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.046	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.139	H atoms treated by a mixture of independent and constrained refinement
S = 1.00	w = 1/[σ²(F_o²) + (0.084P)² + 1.4448P] where P = (F_o² + 2F_c²)/3
2703 reflections	(Δ/σ)_max = 0.016
229 parameters	Δρ_max = 1.05 e Å⁻³
3 restraints	Δρ_min = −0.39 e Å⁻³

Crystal data top

[Co(C₁₈H₁₂N₅)₂(H₂O)₂]	V = 1529.4 (3) Å³
M_r = 691.61	Z = 2
Monoclinic, P2₁/c	Mo Kα radiation
a = 13.2407 (17) Å	µ = 0.62 mm⁻¹
b = 11.9355 (16) Å	T = 296 K
c = 9.8644 (13) Å	0.12 × 0.10 × 0.08 mm
β = 101.158 (1)°

Data collection top

Bruker APEXII CCD diffractometer	2703 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2001)	2227 reflections with I > 2σ(I)
T_min = 0.930, T_max = 0.953	R_int = 0.030
10448 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.046	3 restraints
wR(F²) = 0.139	H atoms treated by a mixture of independent and constrained refinement
S = 1.00	Δρ_max = 1.05 e Å⁻³
2703 reflections	Δρ_min = −0.39 e Å⁻³
229 parameters

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.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	U_iso*/U_eq
C1	0.3746 (2)	0.2081 (2)	−0.1267 (3)	0.0338 (7)
H1	0.3430	0.1589	−0.1950	0.041*
C2	0.3481 (2)	0.3190 (3)	−0.1381 (3)	0.0399 (7)
H2	0.2998	0.3446	−0.2131	0.048*
C3	0.3941 (3)	0.3920 (3)	−0.0371 (3)	0.0417 (8)
H3	0.3774	0.4677	−0.0429	0.050*
C4	0.4652 (2)	0.3519 (2)	0.0731 (3)	0.0364 (7)
H4	0.4965	0.3999	0.1430	0.044*
C5	0.4892 (2)	0.2395 (2)	0.0780 (3)	0.0269 (6)
C6	0.5661 (2)	0.1858 (2)	0.1853 (3)	0.0272 (6)
C7	0.6826 (2)	0.1420 (2)	0.3514 (3)	0.0297 (6)
C8	0.7641 (2)	0.1417 (3)	0.4764 (3)	0.0338 (7)
C9	0.7837 (2)	0.2303 (3)	0.5675 (3)	0.0433 (8)
H9	0.7434	0.2946	0.5518	0.052*
C10	0.8626 (3)	0.2249 (3)	0.6818 (3)	0.0478 (9)
H10	0.8741	0.2858	0.7416	0.057*
C11	0.9247 (2)	0.1313 (3)	0.7094 (3)	0.0421 (8)
C12	0.9022 (3)	0.0412 (3)	0.6208 (4)	0.0563 (10)
H12	0.9412	−0.0238	0.6380	0.068*
C13	0.8234 (3)	0.0457 (3)	0.5078 (4)	0.0522 (9)
H13	0.8095	−0.0169	0.4510	0.063*
C14	1.0128 (2)	0.1248 (3)	0.8284 (3)	0.0467 (8)
C15	1.0235 (4)	0.1889 (6)	0.9427 (5)	0.112 (2)
H15	0.9742	0.2425	0.9511	0.134*
C16	1.1092 (4)	0.1743 (7)	1.0485 (5)	0.120 (3)
H16	1.1146	0.2213	1.1248	0.144*
C17	1.1763 (4)	0.0477 (5)	0.9319 (5)	0.0846 (15)
H17	1.2307	0.0008	0.9225	0.102*
C18	1.0955 (3)	0.0567 (4)	0.8218 (5)	0.0771 (14)
H18	1.0967	0.0162	0.7416	0.093*
Co1	0.5000	0.0000	0.0000	0.0298 (2)
N1	0.44390 (18)	0.16760 (19)	−0.0215 (2)	0.0289 (5)
N2	0.58648 (18)	0.07828 (19)	0.1693 (2)	0.0320 (6)
N3	0.66303 (19)	0.0488 (2)	0.2766 (2)	0.0349 (6)
N4	0.62453 (18)	0.23101 (19)	0.2988 (2)	0.0292 (5)
N5	1.1817 (3)	0.1015 (4)	1.0501 (3)	0.0734 (11)
O1	0.38664 (16)	−0.04573 (19)	0.1239 (2)	0.0397 (5)
H1W	0.374 (3)	−0.1106 (9)	0.143 (4)	0.080*
H2W	0.343 (2)	0.000 (2)	0.137 (5)	0.080*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.0342 (16)	0.0313 (15)	0.0302 (15)	−0.0007 (13)	−0.0078 (12)	−0.0025 (12)
C2	0.0414 (18)	0.0360 (17)	0.0355 (16)	0.0070 (14)	−0.0091 (13)	0.0047 (13)
C3	0.0509 (19)	0.0282 (16)	0.0403 (17)	0.0097 (14)	−0.0055 (15)	0.0020 (13)
C4	0.0434 (18)	0.0278 (15)	0.0326 (15)	−0.0004 (13)	−0.0061 (13)	−0.0049 (12)
C5	0.0279 (14)	0.0255 (14)	0.0247 (14)	−0.0014 (11)	−0.0013 (11)	−0.0008 (11)
C6	0.0281 (14)	0.0240 (14)	0.0263 (13)	−0.0018 (11)	−0.0031 (11)	−0.0011 (11)
C7	0.0290 (15)	0.0313 (15)	0.0249 (13)	−0.0009 (12)	−0.0040 (11)	−0.0001 (12)
C8	0.0297 (15)	0.0365 (16)	0.0299 (15)	0.0003 (13)	−0.0072 (12)	−0.0004 (13)
C9	0.0383 (18)	0.0457 (19)	0.0400 (17)	0.0101 (15)	−0.0072 (14)	−0.0099 (15)
C10	0.0400 (18)	0.058 (2)	0.0383 (17)	0.0087 (16)	−0.0099 (14)	−0.0203 (16)
C11	0.0351 (17)	0.057 (2)	0.0291 (15)	0.0027 (15)	−0.0069 (13)	−0.0035 (15)
C12	0.054 (2)	0.049 (2)	0.053 (2)	0.0133 (18)	−0.0222 (17)	−0.0011 (18)
C13	0.057 (2)	0.0392 (19)	0.048 (2)	0.0050 (17)	−0.0210 (17)	−0.0101 (16)
C14	0.0330 (17)	0.068 (2)	0.0334 (17)	0.0039 (16)	−0.0072 (14)	−0.0032 (16)
C15	0.068 (3)	0.191 (7)	0.059 (3)	0.050 (4)	−0.033 (2)	−0.052 (4)
C16	0.080 (4)	0.207 (8)	0.056 (3)	0.034 (4)	−0.030 (3)	−0.055 (4)
C17	0.058 (3)	0.108 (4)	0.075 (3)	0.013 (3)	−0.021 (2)	0.004 (3)
C18	0.060 (3)	0.094 (4)	0.065 (3)	0.023 (3)	−0.019 (2)	−0.012 (2)
Co1	0.0330 (3)	0.0221 (3)	0.0275 (3)	0.0006 (2)	−0.0110 (2)	−0.0016 (2)
N1	0.0292 (13)	0.0253 (12)	0.0272 (12)	−0.0005 (10)	−0.0066 (10)	−0.0006 (10)
N2	0.0336 (13)	0.0268 (13)	0.0291 (12)	0.0000 (10)	−0.0104 (10)	−0.0005 (10)
N3	0.0372 (14)	0.0288 (13)	0.0309 (13)	0.0006 (11)	−0.0133 (11)	−0.0008 (11)
N4	0.0304 (13)	0.0268 (13)	0.0263 (12)	−0.0010 (10)	−0.0043 (10)	−0.0035 (10)
N5	0.0438 (19)	0.121 (3)	0.0461 (19)	0.004 (2)	−0.0148 (15)	0.004 (2)
O1	0.0389 (12)	0.0321 (11)	0.0441 (12)	0.0015 (10)	−0.0019 (10)	0.0062 (11)

Geometric parameters (Å, º) top

C1—N1	1.336 (4)	C11—C14	1.488 (4)
C1—C2	1.368 (4)	C12—C13	1.372 (5)
C1—H1	0.9300	C12—H12	0.9300
C2—C3	1.374 (4)	C13—H13	0.9300
C2—H2	0.9300	C14—C15	1.348 (6)
C3—C4	1.379 (4)	C14—C18	1.375 (6)
C3—H3	0.9300	C15—C16	1.395 (6)
C4—C5	1.377 (4)	C15—H15	0.9300
C4—H4	0.9300	C16—N5	1.293 (7)
C5—N1	1.353 (3)	C16—H16	0.9300
C5—C6	1.466 (4)	C17—N5	1.321 (6)
C6—N2	1.328 (4)	C17—C18	1.374 (6)
C6—N4	1.344 (3)	C17—H17	0.9300
C7—N3	1.333 (4)	C18—H18	0.9300
C7—N4	1.354 (4)	Co1—N2ⁱ	2.057 (2)
C7—C8	1.473 (4)	Co1—N2	2.057 (2)
C8—C9	1.379 (4)	Co1—N1	2.130 (2)
C8—C13	1.391 (5)	Co1—N1ⁱ	2.130 (2)
C9—C10	1.381 (4)	Co1—O1ⁱ	2.181 (2)
C9—H9	0.9300	Co1—O1	2.181 (2)
C10—C11	1.383 (5)	N2—N3	1.363 (3)
C10—H10	0.9300	O1—H1W	0.8200 (11)
C11—C12	1.381 (5)	O1—H2W	0.8200 (11)

N1—C1—C2	122.8 (3)	C18—C14—C11	120.2 (3)
N1—C1—H1	118.6	C14—C15—C16	119.6 (5)
C2—C1—H1	118.6	C14—C15—H15	120.2
C1—C2—C3	118.8 (3)	C16—C15—H15	120.2
C1—C2—H2	120.6	N5—C16—C15	126.0 (5)
C3—C2—H2	120.6	N5—C16—H16	117.0
C2—C3—C4	119.4 (3)	C15—C16—H16	117.0
C2—C3—H3	120.3	N5—C17—C18	124.1 (5)
C4—C3—H3	120.3	N5—C17—H17	117.9
C5—C4—C3	118.9 (3)	C18—C17—H17	117.9
C5—C4—H4	120.5	C17—C18—C14	121.0 (4)
C3—C4—H4	120.5	C17—C18—H18	119.5
N1—C5—C4	121.7 (2)	C14—C18—H18	119.5
N1—C5—C6	113.3 (2)	N2ⁱ—Co1—N2	180.00 (19)
C4—C5—C6	125.0 (2)	N2ⁱ—Co1—N1	102.53 (9)
N2—C6—N4	112.9 (2)	N2—Co1—N1	77.47 (9)
N2—C6—C5	117.7 (2)	N2ⁱ—Co1—N1ⁱ	77.47 (9)
N4—C6—C5	129.3 (2)	N2—Co1—N1ⁱ	102.53 (9)
N3—C7—N4	114.0 (2)	N1—Co1—N1ⁱ	180.00 (12)
N3—C7—C8	119.6 (3)	N2ⁱ—Co1—O1ⁱ	89.65 (9)
N4—C7—C8	126.3 (3)	N2—Co1—O1ⁱ	90.35 (9)
C9—C8—C13	117.4 (3)	N1—Co1—O1ⁱ	88.49 (9)
C9—C8—C7	124.0 (3)	N1ⁱ—Co1—O1ⁱ	91.51 (9)
C13—C8—C7	118.6 (3)	N2ⁱ—Co1—O1	90.35 (9)
C8—C9—C10	120.9 (3)	N2—Co1—O1	89.65 (9)
C8—C9—H9	119.6	N1—Co1—O1	91.51 (9)
C10—C9—H9	119.6	N1ⁱ—Co1—O1	88.49 (9)
C9—C10—C11	121.7 (3)	O1ⁱ—Co1—O1	180.00 (15)
C9—C10—H10	119.2	C1—N1—C5	118.4 (2)
C11—C10—H10	119.2	C1—N1—Co1	126.26 (19)
C12—C11—C10	117.2 (3)	C5—N1—Co1	115.22 (18)
C12—C11—C14	119.9 (3)	C6—N2—N3	107.2 (2)
C10—C11—C14	122.9 (3)	C6—N2—Co1	116.21 (18)
C13—C12—C11	121.4 (3)	N3—N2—Co1	136.62 (19)
C13—C12—H12	119.3	C7—N3—N2	104.5 (2)
C11—C12—H12	119.3	C6—N4—C7	101.4 (2)
C12—C13—C8	121.4 (3)	C16—N5—C17	113.7 (4)
C12—C13—H13	119.3	Co1—O1—H1W	124 (2)
C8—C13—H13	119.3	Co1—O1—H2W	120 (2)
C15—C14—C18	114.8 (4)	H1W—O1—H2W	114.6 (2)
C15—C14—C11	124.8 (4)

Symmetry code: (i) −x+1, −y, −z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1W···N4ⁱⁱ	0.82 (1)	1.98 (1)	2.783 (3)	168 (4)
O1—H2W···N5ⁱⁱⁱ	0.82 (1)	2.46 (3)	3.196 (4)	150 (5)

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

Experimental details

Crystal data
Chemical formula	[Co(C₁₈H₁₂N₅)₂(H₂O)₂]
M_r	691.61
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	296
a, b, c (Å)	13.2407 (17), 11.9355 (16), 9.8644 (13)
β (°)	101.158 (1)
V (Å³)	1529.4 (3)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	0.62
Crystal size (mm)	0.12 × 0.10 × 0.08

Data collection
Diffractometer	Bruker APEXII CCD diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2001)
T_min, T_max	0.930, 0.953
No. of measured, independent and observed [I > 2σ(I)] reflections	10448, 2703, 2227
R_int	0.030
(sin θ/λ)_max (Å⁻¹)	0.595

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.046, 0.139, 1.00
No. of reflections	2703
No. of parameters	229
No. of restraints	3
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	1.05, −0.39

Computer programs: APEX2 (Bruker, 2004), SAINT-Plus (Bruker, 2001), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top

Co1—N2	2.057 (2)	Co1—O1	2.181 (2)
Co1—N1	2.130 (2)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1W···N4ⁱ	0.8200 (11)	1.976 (8)	2.783 (3)	168 (4)
O1—H2W···N5ⁱⁱ	0.8200 (11)	2.46 (3)	3.196 (4)	150 (5)

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

References

Bruker (2001). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
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