Poly[[diaqua­{N-[1-(3-pyrid­yl)ethyl­idene]-4H-1,2,4-triazol-4-amine}zinc(II)] bis­(perchlorate)]

Sun, X.; He, X.; Wang, W.; Miao, D.; Sun, Q.

doi:10.1107/S1600536809013130

metal-organic compounds

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ISSN: 2056-9890

Volume 65| Part 5| May 2009| Pages m518-m519

doi:10.1107/S1600536809013130

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Poly[[diaqua{N-[1-(3-pyridyl)ethylidene]-4H-1,2,4-triazol-4-amine}zinc(II)] bis(perchlorate)]

Xiaodan Sun,^a Xianhua He,^a Wei Wang,^a Donghua Miao ^a and Qiaozhen Sun ^a ^*

^aDepartment of Materials Chemistry, School of Materials Science and Engineering, Key Laboratory of Non-ferrous Metals of the Ministry of Education, Central South University, Changsha 410083, People's Republic of China
^*Correspondence e-mail: rosesunqz@yahoo.com.cn

(Received 30 March 2009; accepted 7 April 2009; online 10 April 2009)

In the title compound, {[Zn(C₉H₉N₅)₂(H₂O)₂](ClO₄)₂}_n, the Zn^II ion lies on an inversion center and is coordinated by two triazolyl N atoms and two pyridyl N atoms from four symmetry-related N-1-(3-pyridyl)ethylidene-4H-1,2,4-triazol-4-amine (L) ligands and two O atoms from coordinated water molecules in a slightly distorted octahedral environment. Each L ligand bridges symmetry-related Zn^II ions, forming a two-dimensional layer with a (4,4) grid. In the crystal structure, intermolecular O—H⋯O hydrogen bonds connect perchlorate counter-anions to the layers.

Related literature

For the structures of triazole complexes, see: Wang et al. (2006 , 2007 ); Drabent et al. (2003 , 2004 , 2008 ); Sun et al. (2009a ,b ); Yi et al. (2004 ). For general background information, see: Beckmann & Brooker (2003 ); Ding et al. (2007 ); Haasnoot (2000 ); Klingele & Brooker (2003 ); Zhai et al. (2006 ). For the (4,4) topology, see: Batten & Robson (1998 ).

Experimental

Crystal data

[Zn(C₉H₉N₅)₂(H₂O)₂](ClO₄)₂
M_r = 674.75
Monoclinic, P 2₁ /n
a = 7.4929 (9) Å
b = 10.0963 (12) Å
c = 17.149 (2) Å
β = 94.887 (2)°
V = 1292.6 (3) Å³
Z = 2
Mo Kα radiation
μ = 1.23 mm⁻¹
T = 293 K
0.38 × 0.30 × 0.30 mm

Data collection

Bruker SMART CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2000 ) T_min = 0.647, T_max = 0.697
6344 measured reflections
2266 independent reflections
1856 reflections with I > 2σ(I)
R_int = 0.053

Refinement

R[F² > 2σ(F²)] = 0.044
wR(F²) = 0.130
S = 1.05
2266 reflections
187 parameters
H-atom parameters constrained
Δρ_max = 0.34 e Å⁻³
Δρ_min = −0.35 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1WA⋯N2	0.85	2.20	2.814 (4)	130
O1W—H1WB⋯O4ⁱ	0.85	2.22	2.993 (5)	151
O1W—H1WB⋯O3ⁱ	0.85	2.26	3.003 (5)	147
Symmetry code: (i) $[-x+{\script{3\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL, DIAMOND (Brandenburg & Putz, 1999 ) and OLEX (Dolomanov et al., 2003 ); software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809013130/lh2801sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536809013130/lh2801Isup2.hkl

checkCIF report

Comment top

1,2,4-Triazoles and their derivatives can coordinate with metal ions using two bridging adjacent nitrogen atoms via the 1, 2 or 4-positioned N atoms, exhibiting unique magnetic properties. Recently, a variety of such coordination compounds with various structures and different chemical properties have been reported (Beckmann & Brooker, 2003; Ding et al., 2007; Haasnoot, 2000; Klingele & Brooker, 2003; Zhai et al., 2006). Relatively speaking, the crystal structures of only a few compounds based on 4-amido-1,2,4-triazoles Schiff base ligands have been studied e.g. [Ag₄(µ2-L)₆(CH₃CN)₂] (AsF₆)₄.2H₂O [where L=4-salicylideneamino- 1,2,4-triazole] (Wang et al., 2006) and a series of one-dimensional linear chain polymers {[Cu(µ-OH)(µ-RPhtrz)] [(H₂O)X]}_n (where R=Cl, Br; HPhtrz= N-[(E)-phenylmethylidene-4H-1,2,4-triazol-4- amine]; X=BF₄^-, NO₃^-) (Drabent et al., 2008). However, the most common structure type is dimeric with M₂L₄ [where M=Cu(I), Ag(I)] in which two ligands coordinate with metal ion in monodentate fashion and two in bidentate mode (Drabent et al., 2003;2004; Wang et al., 2007).

As part of our on-going work (Sun et al., 2009a,b), we have synthesized N-[1-(3-pyridyl)ethylidene]-4H-1,2,4-triazol- 4-amine. Unlike above Schiff base ligands containing 1,2,4-triazole, it is a rigid angular multifunctional ligand containing one pyridine and one triazole group, which are both strong coordination donors to metal centers. Therefore, it was expected that the pyridyl N atom would coordinate with metal ions creating a structure with a novel topology. Herein we present the crystal structure of the title two-dimensional layer compound with a (4,4) grid (Batten & Robson, 1998).

The asymmetric unit of the title compound is shown in Fig. 1. Each Zn^II ion is in a slightly distorted octahedral coordination environment with the equatorial sites occupied by two triazolyl N atoms of symmetry related ligands (L) and two symmetry related water molecules. The axial sites are occupied by two pyridyl N atoms from two symmetry related ligands (L). Unlike the N1, N2 coordination mode reported previously (Drabent et al., 2003,2004,2008; Sun et al., 2009a,b; Wang et al., 2006 and 2007; Yi et al., 2004), each ligand in the title compound bridges two Zn^II ions, forming a two-dimensional sheet with a (4, 4) topology (Fig. 2). Fig. 3 shows how ClO₄^- anions and coordinated water molecules occupy the spaces between neighbouring layers.

Related literature top

For the structures of triazole complexes, see: Wang et al. (2006,2007); Drabent et al. (2003,2004,2008); Sun et al. (2009a,b); Yi et al. (2004). For general background information, see: Beckmann & Brooker (2003); Ding et al. (2007); Haasnoot (2000); Klingele & Brooker (2003); Zhai et al. (2006). For the (4,4) grid, see: Batten & Robson (1998).

Experimental top

Preparation of ligand L: An ethanolic solution (20 ml) of 3-acetylpyridine (1.21 g, 10 mmol) was added to a warm ethanolic solution (10 ml) of 4-amino- 1,2,4-triazole (0.84 g, 10 mmol) and the resulting solution was refluxed for four hours. The reaction mixture was then cooled to room temperature. Upon standing overnight the resultant pale yellow solid was filtered off, washed with diethyl ether and dried under vacuum. Yield: 80%. Elemental analyses calcd (%): C, 57.7; H, 4.8; N, 37.4. Found: C, 57.6; H, 4.8; N, 37.4. 1H NMR (500 MHz, DMSO, 298 K): 9.14 (d, 1H), 8.80 (s, 2H), 8.77 (d, 1H), 8.35–8.36 (d, 1H), 7.57–7.59 (m, 1H), 2.44 (s, 3H).

Preparation of the title compound: The ligand L (0.1 mmol, 0.019 g) and Zn(ClO₄)₂.6H₂O (0.1 mmol, 0.037 g) were mixed in acetonitrile and methanol. After stirring at room temperature for one hour, the colourless solution was filtered and evaporated at room temperature. A few days later the block crystals were obtained. Elemental analyses calcd (%) for Zn_0.5C₉H₁₁ClN₅O₅: C, 30.8; H, 4.6; N, 20.0. Found: C, 30.7; H, 4.5; N, 20.0. IR (KBr pellets, λ, cm^-1): 3384m, 3124m, 1627m, 1588w, 1523m, 1477w, 1420w, 1369w, 1291m, 1184m, 1088vs, 1010m, 888w, 826w, 698m, 626 s, 489w, 435w.

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008), DIAMOND (Brandenburg & Putz, 1999) and OLEX (Dolomanov et al., 2003); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. The asymmetric unit of the title compound showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 30% probability level.
	Fig. 2. Part of the crystal structure showing the (4, 4) topology and the slightly distorted octahedal configuration for Zn^II ions.
	Fig. 3. Part of the crystal structure viewed perpendicular to the (010) plane to show how ClO₄^- anions and coordinated water ligands occupy the layers. H atoms have been omitted for clarity.

Poly[[diaqua{N-[1-(3-pyridyl)ethylidene]-4H-1,2,4-triazol-4- amine}zinc(II)] bis(perchlorate)] top

Crystal data top

[Zn(C₉H₉N₅)₂(H₂O)₂](ClO₄)₂	F(000) = 688
M_r = 674.75	D_x = 1.734 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 2652 reflections
a = 7.4929 (9) Å	θ = 2.4–27.8°
b = 10.0963 (12) Å	µ = 1.23 mm⁻¹
c = 17.149 (2) Å	T = 293 K
β = 94.887 (2)°	Block, colourless
V = 1292.6 (3) Å³	0.38 × 0.30 × 0.30 mm
Z = 2

Data collection top

Bruker SMART CCD diffractometer	2266 independent reflections
Radiation source: fine-focus sealed tube	1856 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.053
ϕ and ω scans	θ_max = 25.0°, θ_min = 2.3°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −8→8
T_min = 0.647, T_max = 0.697	k = −11→11
6344 measured reflections	l = −20→18

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)] = 0.044	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.130	H-atom parameters constrained
S = 1.05	w = 1/[σ²(F_o²) + (0.0859P)² + 0.0827P] where P = (F_o² + 2F_c²)/3
2266 reflections	(Δ/σ)_max < 0.001
187 parameters	Δρ_max = 0.34 e Å⁻³
0 restraints	Δρ_min = −0.35 e Å⁻³

Crystal data top

[Zn(C₉H₉N₅)₂(H₂O)₂](ClO₄)₂	V = 1292.6 (3) Å³
M_r = 674.75	Z = 2
Monoclinic, P2₁/n	Mo Kα radiation
a = 7.4929 (9) Å	µ = 1.23 mm⁻¹
b = 10.0963 (12) Å	T = 293 K
c = 17.149 (2) Å	0.38 × 0.30 × 0.30 mm
β = 94.887 (2)°

Data collection top

Bruker SMART CCD diffractometer	2266 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2000)	1856 reflections with I > 2σ(I)
T_min = 0.647, T_max = 0.697	R_int = 0.053
6344 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.044	0 restraints
wR(F²) = 0.130	H-atom parameters constrained
S = 1.05	Δρ_max = 0.34 e Å⁻³
2266 reflections	Δρ_min = −0.35 e Å⁻³
187 parameters

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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 > σ(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
Zn1	0.5000	0.0000	0.0000	0.0318 (2)
N1	0.6739 (4)	0.0235 (3)	0.10252 (15)	0.0313 (6)
N2	0.8545 (4)	0.0414 (3)	0.09414 (16)	0.0388 (7)
N3	0.8080 (3)	0.0549 (3)	0.21762 (14)	0.0295 (6)
N4	0.8448 (4)	0.0976 (3)	0.29546 (14)	0.0339 (6)
N5	0.9165 (4)	0.2865 (3)	0.50082 (15)	0.0346 (6)
C1	0.6489 (4)	0.0320 (3)	0.17647 (18)	0.0311 (7)
H1B	0.5392	0.0237	0.1976	0.037*
C2	0.9296 (4)	0.0616 (4)	0.16374 (18)	0.0375 (8)
H2B	1.0511	0.0784	0.1753	0.045*
C3	0.7815 (4)	0.0301 (3)	0.34965 (19)	0.0305 (7)
C4	0.6845 (5)	−0.0988 (3)	0.3412 (2)	0.0433 (9)
H4B	0.6757	−0.1257	0.2873	0.065*
H4C	0.5665	−0.0889	0.3582	0.065*
H4D	0.7489	−0.1648	0.3726	0.065*
C5	0.8132 (4)	0.0933 (3)	0.42821 (17)	0.0289 (7)
C6	0.7662 (5)	0.0350 (4)	0.4965 (2)	0.0383 (8)
H6A	0.7139	−0.0486	0.4953	0.046*
C7	0.7979 (5)	0.1027 (4)	0.56667 (19)	0.0419 (9)
H7A	0.7705	0.0639	0.6134	0.050*
C8	0.8695 (5)	0.2266 (4)	0.56639 (19)	0.0388 (8)
H8A	0.8870	0.2721	0.6136	0.047*
C9	0.8878 (4)	0.2192 (3)	0.43411 (18)	0.0336 (8)
H9A	0.9199	0.2592	0.3885	0.040*
Cl1	0.65614 (11)	0.77575 (8)	0.69869 (5)	0.0395 (3)
O2	0.6939 (3)	0.9043 (3)	0.73148 (17)	0.0567 (7)
O1	0.5062 (4)	0.7213 (3)	0.7307 (2)	0.0798 (11)
O3	0.6227 (7)	0.7890 (4)	0.6170 (2)	0.1085 (14)
O4	0.8049 (5)	0.6906 (3)	0.7127 (3)	0.0937 (12)
O1W	0.7229 (3)	0.0328 (3)	−0.06446 (14)	0.0425 (6)
H1WA	0.8172	0.0228	−0.0338	0.051*
H1WB	0.7353	0.0972	−0.0954	0.051*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Zn1	0.0407 (4)	0.0362 (4)	0.0182 (3)	0.0009 (2)	0.0001 (2)	0.00160 (19)
N1	0.0336 (15)	0.0363 (16)	0.0236 (14)	0.0012 (12)	−0.0006 (11)	−0.0013 (11)
N2	0.0366 (16)	0.0505 (18)	0.0295 (16)	−0.0022 (14)	0.0039 (12)	−0.0054 (13)
N3	0.0340 (14)	0.0331 (15)	0.0205 (13)	−0.0001 (12)	−0.0014 (11)	−0.0046 (11)
N4	0.0432 (16)	0.0377 (16)	0.0202 (14)	−0.0052 (13)	−0.0014 (11)	−0.0075 (11)
N5	0.0452 (17)	0.0345 (16)	0.0235 (14)	−0.0029 (13)	−0.0003 (11)	−0.0017 (11)
C1	0.0358 (18)	0.0342 (18)	0.0231 (17)	0.0003 (14)	0.0018 (14)	−0.0037 (13)
C2	0.0329 (18)	0.049 (2)	0.0310 (19)	−0.0013 (16)	0.0051 (14)	−0.0044 (16)
C3	0.0302 (17)	0.0324 (18)	0.0281 (17)	0.0047 (14)	−0.0034 (14)	−0.0024 (14)
C4	0.060 (2)	0.035 (2)	0.0332 (19)	−0.0104 (17)	−0.0008 (16)	−0.0012 (15)
C5	0.0290 (16)	0.0318 (18)	0.0255 (16)	0.0025 (13)	0.0006 (12)	0.0020 (13)
C6	0.042 (2)	0.0398 (19)	0.0335 (19)	−0.0050 (16)	0.0045 (15)	0.0020 (15)
C7	0.051 (2)	0.048 (2)	0.0270 (18)	−0.0056 (17)	0.0055 (15)	0.0059 (15)
C8	0.050 (2)	0.044 (2)	0.0222 (17)	−0.0012 (16)	0.0023 (15)	−0.0005 (14)
C9	0.0439 (19)	0.0359 (19)	0.0212 (16)	−0.0003 (15)	0.0035 (13)	0.0014 (13)
Cl1	0.0451 (5)	0.0349 (5)	0.0397 (5)	0.0018 (4)	0.0111 (4)	−0.0036 (3)
O2	0.0545 (16)	0.0439 (16)	0.073 (2)	−0.0038 (13)	0.0105 (14)	−0.0182 (13)
O1	0.068 (2)	0.067 (2)	0.110 (3)	−0.0251 (17)	0.043 (2)	−0.0256 (18)
O3	0.196 (4)	0.089 (3)	0.041 (2)	0.001 (3)	0.010 (2)	−0.0046 (18)
O4	0.067 (2)	0.054 (2)	0.161 (4)	0.0276 (17)	0.012 (2)	0.011 (2)
O1W	0.0432 (14)	0.0514 (16)	0.0339 (14)	−0.0006 (12)	0.0092 (11)	0.0095 (11)

Geometric parameters (Å, º) top

Zn1—O1W	2.106 (2)	C3—C5	1.491 (4)
Zn1—O1Wⁱ	2.106 (2)	C4—H4B	0.9600
Zn1—N1ⁱ	2.111 (3)	C4—H4C	0.9600
Zn1—N1	2.111 (3)	C4—H4D	0.9600
Zn1—N5ⁱⁱ	2.245 (3)	C5—C6	1.382 (4)
Zn1—N5ⁱⁱⁱ	2.245 (3)	C5—C9	1.389 (5)
N1—C1	1.301 (4)	C6—C7	1.387 (5)
N1—N2	1.385 (4)	C6—H6A	0.9300
N2—C2	1.292 (4)	C7—C8	1.362 (5)
N3—C1	1.352 (4)	C7—H7A	0.9300
N3—C2	1.354 (4)	C8—H8A	0.9300
N3—N4	1.408 (3)	C9—H9A	0.9300
N4—C3	1.276 (4)	Cl1—O1	1.404 (3)
N5—C9	1.332 (4)	Cl1—O3	1.409 (4)
N5—C8	1.349 (4)	Cl1—O4	1.412 (3)
N5—Zn1^iv	2.245 (3)	Cl1—O2	1.433 (3)
C1—H1B	0.9300	O1W—H1WA	0.8500
C2—H2B	0.9300	O1W—H1WB	0.8500
C3—C4	1.491 (5)

O1W—Zn1—O1Wⁱ	180	N4—C3—C5	112.9 (3)
O1W—Zn1—N1ⁱ	92.38 (10)	C4—C3—C5	120.0 (3)
O1Wⁱ—Zn1—N1ⁱ	87.62 (10)	C3—C4—H4B	109.5
O1W—Zn1—N1	87.62 (10)	C3—C4—H4C	109.5
O1Wⁱ—Zn1—N1	92.38 (10)	H4B—C4—H4C	109.5
N1ⁱ—Zn1—N1	180	C3—C4—H4D	109.5
O1W—Zn1—N5ⁱⁱ	94.97 (10)	H4B—C4—H4D	109.5
O1Wⁱ—Zn1—N5ⁱⁱ	85.03 (10)	H4C—C4—H4D	109.5
N1ⁱ—Zn1—N5ⁱⁱ	87.73 (10)	C6—C5—C9	117.2 (3)
N1—Zn1—N5ⁱⁱ	92.27 (10)	C6—C5—C3	123.4 (3)
O1W—Zn1—N5ⁱⁱⁱ	85.03 (10)	C9—C5—C3	119.3 (3)
O1Wⁱ—Zn1—N5ⁱⁱⁱ	94.97 (10)	C5—C6—C7	119.2 (3)
N1ⁱ—Zn1—N5ⁱⁱⁱ	92.27 (10)	C5—C6—H6A	120.4
N1—Zn1—N5ⁱⁱⁱ	87.73 (10)	C7—C6—H6A	120.4
N5ⁱⁱ—Zn1—N5ⁱⁱⁱ	180	C8—C7—C6	119.2 (3)
C1—N1—N2	108.4 (3)	C8—C7—H7A	120.4
C1—N1—Zn1	133.6 (2)	C6—C7—H7A	120.4
N2—N1—Zn1	117.9 (2)	N5—C8—C7	123.0 (3)
C2—N2—N1	106.1 (3)	N5—C8—H8A	118.5
C1—N3—C2	105.5 (3)	C7—C8—H8A	118.5
C1—N3—N4	129.8 (3)	N5—C9—C5	124.3 (3)
C2—N3—N4	122.9 (3)	N5—C9—H9A	117.8
C3—N4—N3	118.2 (3)	C5—C9—H9A	117.8
C9—N5—C8	116.9 (3)	O1—Cl1—O3	110.2 (3)
C9—N5—Zn1^iv	120.6 (2)	O1—Cl1—O4	110.0 (2)
C8—N5—Zn1^iv	121.9 (2)	O3—Cl1—O4	107.3 (3)
N1—C1—N3	109.0 (3)	O1—Cl1—O2	109.83 (17)
N1—C1—H1B	125.5	O3—Cl1—O2	108.5 (2)
N3—C1—H1B	125.5	O4—Cl1—O2	111.0 (2)
N2—C2—N3	110.9 (3)	Zn1—O1W—H1WA	108.1
N2—C2—H2B	124.5	Zn1—O1W—H1WB	125.6
N3—C2—H2B	124.5	H1WA—O1W—H1WB	110.4
N4—C3—C4	127.1 (3)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···N2	0.85	2.20	2.814 (4)	130
O1W—H1WB···O4ⁱⁱⁱ	0.85	2.22	2.993 (5)	151
O1W—H1WB···O3ⁱⁱⁱ	0.85	2.26	3.003 (5)	147

Symmetry code: (iii) −x+3/2, y−1/2, −z+1/2.

Experimental details

Crystal data
Chemical formula	[Zn(C₉H₉N₅)₂(H₂O)₂](ClO₄)₂
M_r	674.75
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	293
a, b, c (Å)	7.4929 (9), 10.0963 (12), 17.149 (2)
β (°)	94.887 (2)
V (Å³)	1292.6 (3)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	1.23
Crystal size (mm)	0.38 × 0.30 × 0.30

Data collection
Diffractometer	Bruker SMART CCD diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2000)
T_min, T_max	0.647, 0.697
No. of measured, independent and observed [I > 2σ(I)] reflections	6344, 2266, 1856
R_int	0.053
(sin θ/λ)_max (Å⁻¹)	0.595

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.044, 0.130, 1.05
No. of reflections	2266
No. of parameters	187
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.34, −0.35

Computer programs: SMART (Bruker, 2000), SAINT (Bruker, 2000), SHELXTL (Sheldrick, 2008), DIAMOND (Brandenburg & Putz, 1999) and OLEX (Dolomanov et al., 2003).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···N2	0.85	2.20	2.814 (4)	130
O1W—H1WB···O4ⁱ	0.85	2.22	2.993 (5)	151
O1W—H1WB···O3ⁱ	0.85	2.26	3.003 (5)	147

Symmetry code: (i) −x+3/2, y−1/2, −z+1/2.

Acknowledgements

The authors acknowledge financial support from the Innovation Program for College Students of Central South University (grant No. 081053308).

References

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ISSN: 2056-9890

Volume 65| Part 5| May 2009| Pages m518-m519

doi:10.1107/S1600536809013130

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metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Poly[[di­aqua­{N-[1-(3-pyrid­yl)ethyl­­idene]-4H-1,2,4-triazol-4-amine}zinc(II)] bis­­(perchlorate)]

Related literature

Experimental

Crystal data

Data collection

Refinement

Supporting information

Acknowledgements

References

metal-organic compounds

Poly[[diaqua{N-[1-(3-pyridyl)ethylidene]-4H-1,2,4-triazol-4-amine}zinc(II)] bis(perchlorate)]