trans-Diaqua-bis-(1H-imidazole-4-carboxyl-ato-κN,O)nickel(II).

In the title complex, [Ni(C(4)H(3)N(2)O(2))(2)(H(2)O)(2)], the Ni(II) ion is located on an inversion center and shows a distorted octa-hedral geometry, defined by two N,O-bidentate 1H-imidazole-4-carboxyl-ate ligands in the equatorial plane and two water mol-ecules in the axial positions. Inter-molecular N-H⋯O hydrogen bonds link the complex mol-ecules into layers parallel to (10[Formula: see text]), which are further linked into a three-dimensional supra-molecular network through O-H⋯O hydrogen bonds.

Related literature

For general background to the design and synthesis of coordination polymers, see: Choi & Jeon (2003 ▶); Moulton & Zaworotko (2001 ▶); Roesky & Andruh (2003 ▶); Tao et al. (2000 ▶). For complexes with n class="Chemical">imidazole-4,5-dicarb­oxy­lic acid, see: Alkordi et al. (2009 ▶); Lu et al. (2009 ▶); Sun et al. (2005 ▶). For related structures, see: Gryz et al. (2007 ▶); Haggag (2005 ▶); Starosta & Leciejewicz (2006 ▶); Xu et al. (2008 ▶); Yin et al. (2009 ▶); Zheng et al. (2011 ▶).

Experimental

Crystal data

[Ni(C4n class="Species">H3N2O2)2(H2O)2]

M = 316.91

Monoclinic,

a = 6.6123 (18) Å

b = 12.267 (3) Å

c = 7.239 (2) Å

β = 101.059 (3)°

V = 576.2 (3) Å3

Z = 2

Mo Kα radiation

μ = 1.72 mm−1

T = 298 K

0.48 × 0.36 × 0.32 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.493, T max = 0.610

2878 measured reflections

1043 independent reflections

947 reflections with I > 2σ(I)

R int = 0.027

Refinement

R[F 2 > 2σ(F 2)] = 0.027

wR(F 2) = 0.070

S = 1.07

1043 reflections

88 parameters

H-atom parameters constrained

Δρmax = 0.25 e Å−3

Δρmin = −0.42 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAIn class="Chemical">NT; 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.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811018824/hy2425sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811018824/hy2425Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Ni(C4H3N2O2)2(H2O)2]	F(000) = 324
Mr = 316.91	Dx = 1.826 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 1803 reflections
a = 6.6123 (18) Å	θ = 3.1–27.8°
b = 12.267 (3) Å	µ = 1.72 mm−1
c = 7.239 (2) Å	T = 298 K
β = 101.059 (3)°	Block, pale green
V = 576.2 (3) Å3	0.48 × 0.36 × 0.32 mm
Z = 2

Bruker APEXII CCD diffractometer	1043 independent reflections
Radiation source: fine-focus sealed tube	947 reflections with I > 2σ(I)
graphite	Rint = 0.027
φ and ω scans	θmax = 25.2°, θmin = 3.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −7→7
Tmin = 0.493, Tmax = 0.610	k = −14→14
2878 measured reflections	l = −8→7

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)] = 0.027	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.070	H-atom parameters constrained
S = 1.07	w = 1/[σ2(Fo2) + (0.0415P)2 + 0.1301P] where P = (Fo2 + 2Fc2)/3
1043 reflections	(Δ/σ)max < 0.001
88 parameters	Δρmax = 0.25 e Å−3
0 restraints	Δρmin = −0.42 e Å−3

	x	y	z	Uiso*/Ueq
Ni1	0.5000	0.0000	0.0000	0.02288 (16)
N1	0.7437 (3)	0.09727 (13)	0.1157 (2)	0.0289 (4)
C3	0.8498 (3)	0.26678 (17)	0.1929 (3)	0.0331 (5)
H2	0.8537	0.3422	0.2070	0.040*
C4	0.9370 (3)	0.09539 (18)	0.2052 (3)	0.0401 (6)
H4	1.0157	0.0325	0.2312	0.048*
C2	0.6866 (3)	0.20552 (15)	0.1070 (3)	0.0226 (4)
N2	1.0046 (3)	0.19580 (17)	0.2536 (3)	0.0411 (5)
H2N	1.1260	0.2125	0.3132	0.049*
O2	0.4160 (2)	0.32925 (10)	−0.0090 (2)	0.0322 (4)
O1	0.3604 (2)	0.15166 (10)	−0.0480 (2)	0.0270 (3)
O1W	0.4100 (3)	−0.00996 (9)	0.2616 (2)	0.0307 (4)
C1	0.4750 (3)	0.23191 (17)	0.0111 (2)	0.0225 (4)
H1WA	0.4644	−0.0632	0.3236	0.027*
H1WB	0.4254	0.0483	0.3241	0.027*

	U11	U22	U33	U12	U13	U23
Ni1	0.0221 (3)	0.0146 (2)	0.0284 (2)	0.00075 (12)	−0.00422 (15)	−0.00212 (12)
N1	0.0249 (10)	0.0224 (9)	0.0348 (9)	0.0037 (7)	−0.0057 (7)	−0.0029 (7)
C3	0.0268 (11)	0.0294 (11)	0.0410 (12)	−0.0075 (9)	0.0013 (9)	−0.0092 (9)
C4	0.0267 (13)	0.0401 (13)	0.0473 (13)	0.0096 (10)	−0.0089 (10)	−0.0050 (10)
C2	0.0213 (10)	0.0200 (9)	0.0249 (9)	−0.0018 (7)	−0.0001 (8)	−0.0020 (7)
N2	0.0179 (9)	0.0548 (12)	0.0455 (11)	−0.0031 (8)	−0.0066 (8)	−0.0147 (9)
O2	0.0348 (9)	0.0188 (7)	0.0385 (9)	0.0048 (6)	−0.0037 (6)	0.0020 (5)
O1	0.0211 (7)	0.0199 (7)	0.0348 (7)	0.0010 (6)	−0.0076 (6)	−0.0025 (6)
O1W	0.0403 (10)	0.0188 (7)	0.0306 (8)	0.0027 (6)	0.0008 (7)	−0.0008 (5)
C1	0.0243 (11)	0.0214 (11)	0.0204 (9)	0.0008 (7)	0.0008 (8)	0.0003 (7)

Ni1—N1	2.0502 (17)	C4—N2	1.334 (3)
Ni1—O1	2.0764 (13)	C4—H4	0.9300
Ni1—O1W	2.0947 (17)	C2—C1	1.473 (3)
N1—C4	1.318 (3)	N2—H2N	0.8600
N1—C2	1.379 (3)	O2—C1	1.256 (2)
C3—N2	1.352 (3)	O1—C1	1.266 (2)
C3—C2	1.363 (3)	O1W—H1WA	0.83
C3—H2	0.9300	O1W—H1WB	0.84
N1i—Ni1—N1	180.00 (10)	N2—C3—H2	127.0
N1i—Ni1—O1i	80.58 (6)	C2—C3—H2	127.0
N1—Ni1—O1i	99.42 (6)	N1—C4—N2	110.96 (19)
N1i—Ni1—O1	99.42 (6)	N1—C4—H4	124.5
N1—Ni1—O1	80.58 (6)	N2—C4—H4	124.5
O1i—Ni1—O1	180.00 (8)	C3—C2—N1	108.92 (18)
N1i—Ni1—O1Wi	90.11 (7)	C3—C2—C1	133.68 (19)
N1—Ni1—O1Wi	89.89 (7)	N1—C2—C1	117.39 (16)
O1i—Ni1—O1Wi	90.53 (5)	C4—N2—C3	108.32 (18)
O1—Ni1—O1Wi	89.47 (5)	C4—N2—H2N	125.8
N1i—Ni1—O1W	89.89 (7)	C3—N2—H2N	125.8
N1—Ni1—O1W	90.11 (7)	C1—O1—Ni1	114.94 (12)
O1i—Ni1—O1W	89.47 (5)	Ni1—O1W—H1WA	111.4
O1—Ni1—O1W	90.53 (5)	Ni1—O1W—H1WB	114.2
O1Wi—Ni1—O1W	180.00 (11)	H1WA—O1W—H1WB	112.4
C4—N1—C2	105.70 (17)	O2—C1—O1	123.19 (17)
C4—N1—Ni1	143.40 (15)	O2—C1—C2	120.62 (18)
C2—N1—Ni1	110.80 (13)	O1—C1—C2	116.20 (17)
N2—C3—C2	106.10 (18)
O1i—Ni1—N1—C4	−2.4 (3)	C4—N1—C2—C1	179.45 (17)
O1—Ni1—N1—C4	177.6 (3)	Ni1—N1—C2—C1	−3.3 (2)
O1Wi—Ni1—N1—C4	−92.9 (3)	N1—C4—N2—C3	−0.2 (3)
O1W—Ni1—N1—C4	87.1 (3)	C2—C3—N2—C4	0.2 (2)
O1i—Ni1—N1—C2	−177.92 (12)	N1i—Ni1—O1—C1	179.42 (13)
O1—Ni1—N1—C2	2.08 (12)	N1—Ni1—O1—C1	−0.58 (13)
O1Wi—Ni1—N1—C2	91.56 (13)	O1Wi—Ni1—O1—C1	−90.55 (13)
O1W—Ni1—N1—C2	−88.44 (13)	O1W—Ni1—O1—C1	89.45 (13)
C2—N1—C4—N2	0.2 (2)	Ni1—O1—C1—O2	178.85 (13)
Ni1—N1—C4—N2	−175.53 (18)	Ni1—O1—C1—C2	−1.03 (19)
N2—C3—C2—N1	−0.1 (2)	C3—C2—C1—O2	2.5 (3)
N2—C3—C2—C1	−179.5 (2)	N1—C2—C1—O2	−176.88 (16)
C4—N1—C2—C3	0.0 (2)	C3—C2—C1—O1	−177.7 (2)
Ni1—N1—C2—C3	177.21 (13)	N1—C2—C1—O1	3.0 (2)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2N···O2ii	0.86	2.16	2.942 (3)	152
N2—H2N···O1ii	0.86	2.36	3.130 (2)	149
O1W—H1WA···O2iii	0.83	1.94	2.762 (2)	169
O1W—H1WB···O2iv	0.84	1.94	2.7654 (19)	168

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N2—H2N⋯O2i	0.86	2.16	2.942 (3)	152
N2—H2N⋯O1i	0.86	2.36	3.130 (2)	149
O1W—H1WA⋯O2ii	0.83	1.94	2.762 (2)	169
O1W—H1WB⋯O2iii	0.84	1.94	2.7654 (19)	168

Symmetry codes: (i) ; (ii) ; (iii) .