catena-Poly[[[diaqua-nickel(II)]-di-μ-glycine] dichloride].

In the polymeric title complex, {[Ni(C(2)H(5)NO(2))(2)(H(2)O)(2)]Cl(2)}(n), the Ni(II) atom lies on an inversion center and is in a distorted octa-hedral NiO(6) configuration, with four carboxyl-ate O atoms from four zwitterionic glycine mol-ecules forming the equatorial plane and two water O atoms occupying the axial positions. The Cl(-) counterions lie in the inter-stices. The Ni(II) complexes are linked into polymeric sheets parallel to the bc plane. These sheets are then further connected into a three-dimensional network by O-H⋯O, O-H⋯Cl and N-H⋯Cl hydrogen bonds, together with weak C-H⋯O inter-actions.

Related literature

For values of bond lengths and angles, see: Allen et al. (1987 ▶); Shannon (1976 ▶). For related structures, see, for example: Fleck & Bohatý (2005 ▶). For background to the application of nickel complexes, see, for example: Ferrari et al. (2002 ▶); Kasuga et al. (2001 ▶); Lancaster (1998 ▶); Matkar et al. (2006 ▶); Liang et al. (2004 ▶).

Experimental

Crystal data

[Ni(C2H5NO2)2(H2O)2]Cl2

M = 315.76

Monoclinic,

a = 10.6006 (1) Å

b = 5.8579 (1) Å

c = 8.7113 (1) Å

β = 90.489 (1)°

V = 540.93 (1) Å3

Z = 2

Mo Kα radiation

μ = 2.30 mm−1

T = 100.0 (1) K

0.32 × 0.22 × 0.12 mm

Data collection

Bruker SMART APEX2 CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T min = 0.530, T max = 0.775

11049 measured reflections

2372 independent reflections

2079 reflections with I > 2σ(I)

R int = 0.032

Refinement

R[F 2 > 2σ(F 2)] = 0.023

wR(F 2) = 0.056

S = 1.06

2372 reflections

98 parameters

All H-atom parameters refined

Δρmax = 0.49 e Å−3

Δρmin = −0.68 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005 ▶); program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2003 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808015894/sj2507sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808015894/sj2507Isup2.hkl

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

[Ni(C2H5NO2)2(H2O)2]Cl2	F000 = 324
Mr = 315.76	Dx = 1.939 Mg m−3
Monoclinic, P21/c	Melting point = 442–443 K
Hall symbol: -P 2ybc	Mo Kα radiation λ = 0.71073 Å
a = 10.6006 (1) Å	Cell parameters from 2372 reflections
b = 5.8579 (1) Å	θ = 3.8–34.9º
c = 8.7113 (1) Å	µ = 2.30 mm−1
β = 90.489 (1)º	T = 100.0 (1) K
V = 540.928 (12) Å3	Block, green
Z = 2	0.32 × 0.22 × 0.12 mm

Bruker SMART APEX2 CCD area-detector diffractometer	2372 independent reflections
Radiation source: fine-focus sealed tube	2079 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.032
Detector resolution: 8.33 pixels mm-1	θmax = 35.0º
T = 100.0(1) K	θmin = 3.8º
ω scans	h = −17→17
Absorption correction: multi-scan(SADABS; Bruker, 2005)	k = −8→9
Tmin = 0.530, Tmax = 0.775	l = −14→14
11049 measured reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.023	All H-atom parameters refined
wR(F2) = 0.056	w = 1/[σ2(Fo2) + (0.0259P)2 + 0.1363P] where P = (Fo2 + 2Fc2)/3
S = 1.06	(Δ/σ)max = 0.001
2372 reflections	Δρmax = 0.49 e Å−3
98 parameters	Δρmin = −0.68 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

Experimental. The low-temperature data was collected with the Oxford Cyrosystem Cobra low-temperature attachment.

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.

	x	y	z	Uiso*/Ueq
Ni1	0.0000	0.0000	0.0000	0.00637 (5)
Cl1	0.38948 (2)	−0.28198 (5)	−0.05133 (3)	0.01159 (6)
O1	0.14915 (7)	0.13388 (13)	−0.11588 (8)	0.00907 (13)
O2	0.04973 (7)	0.34293 (14)	−0.29470 (8)	0.01009 (14)
N1	0.37953 (8)	0.22021 (18)	−0.21419 (11)	0.00996 (16)
C1	0.14619 (9)	0.25515 (18)	−0.23533 (11)	0.00790 (16)
C2	0.27217 (9)	0.2880 (2)	−0.31479 (12)	0.01036 (18)
O1W	0.10514 (8)	−0.28293 (15)	0.04954 (9)	0.01166 (15)
H2A	0.2839 (16)	0.444 (3)	−0.345 (2)	0.017 (4)*
H2B	0.2718 (16)	0.195 (3)	−0.4024 (19)	0.018 (4)*
H1N1	0.4466 (17)	0.204 (3)	−0.2731 (19)	0.020 (4)*
H2N1	0.3641 (15)	0.088 (3)	−0.1668 (19)	0.015 (4)*
H3N1	0.3947 (17)	0.323 (3)	−0.142 (2)	0.025 (5)*
H1W1	0.087 (2)	−0.324 (4)	0.139 (2)	0.038 (6)*
H2W1	0.180 (2)	−0.284 (3)	0.032 (2)	0.032 (5)*

	U11	U22	U33	U12	U13	U23
Ni1	0.00560 (8)	0.00757 (9)	0.00594 (8)	−0.00004 (6)	0.00067 (5)	0.00022 (6)
Cl1	0.00941 (10)	0.01139 (12)	0.01402 (11)	0.00140 (8)	0.00280 (8)	0.00077 (8)
O1	0.0083 (3)	0.0107 (4)	0.0082 (3)	−0.0006 (3)	0.0007 (2)	0.0023 (2)
O2	0.0085 (3)	0.0132 (4)	0.0086 (3)	0.0018 (3)	0.0000 (2)	0.0022 (3)
N1	0.0075 (3)	0.0121 (4)	0.0103 (4)	−0.0001 (3)	0.0009 (3)	0.0021 (3)
C1	0.0079 (4)	0.0085 (4)	0.0074 (4)	−0.0009 (3)	0.0011 (3)	−0.0007 (3)
C2	0.0071 (4)	0.0145 (5)	0.0095 (4)	0.0000 (3)	0.0007 (3)	0.0033 (3)
O1W	0.0089 (3)	0.0129 (4)	0.0133 (3)	0.0023 (3)	0.0028 (3)	0.0027 (3)

Ni1—O1i	2.0398 (7)	N1—C2	1.4845 (14)
Ni1—O1	2.0399 (7)	N1—H1N1	0.885 (18)
Ni1—O1Wi	2.0413 (8)	N1—H2N1	0.893 (18)
Ni1—O1W	2.0414 (8)	N1—H3N1	0.884 (19)
Ni1—O2ii	2.0753 (7)	C1—C2	1.5217 (14)
Ni1—O2iii	2.0753 (7)	C2—H2A	0.959 (18)
O1—C1	1.2601 (12)	C2—H2B	0.939 (17)
O2—C1	1.2524 (12)	O1W—H1W1	0.84 (2)
O2—Ni1iv	2.0753 (7)	O1W—H2W1	0.81 (2)
O1i—Ni1—O1	180.0	C2—N1—H2N1	111.2 (11)
O1i—Ni1—O1Wi	89.58 (3)	H1N1—N1—H2N1	109.0 (15)
O1—Ni1—O1Wi	90.42 (3)	C2—N1—H3N1	111.7 (12)
O1i—Ni1—O1W	90.42 (3)	H1N1—N1—H3N1	110.1 (16)
O1—Ni1—O1W	89.58 (3)	H2N1—N1—H3N1	107.3 (16)
O1Wi—Ni1—O1W	180.0	O2—C1—O1	125.94 (9)
O1i—Ni1—O2ii	86.34 (3)	O2—C1—C2	118.48 (9)
O1—Ni1—O2ii	93.66 (3)	O1—C1—C2	115.54 (9)
O1Wi—Ni1—O2ii	87.50 (3)	N1—C2—C1	111.66 (8)
O1W—Ni1—O2ii	92.50 (3)	N1—C2—H2A	108.4 (10)
O1i—Ni1—O2iii	93.66 (3)	C1—C2—H2A	111.2 (10)
O1—Ni1—O2iii	86.34 (3)	N1—C2—H2B	108.8 (10)
O1Wi—Ni1—O2iii	92.50 (3)	C1—C2—H2B	107.4 (10)
O1W—Ni1—O2iii	87.50 (3)	H2A—C2—H2B	109.4 (14)
O2ii—Ni1—O2iii	180.0	Ni1—O1W—H1W1	107.7 (15)
C1—O1—Ni1	127.70 (7)	Ni1—O1W—H2W1	120.0 (14)
C1—O2—Ni1iv	137.59 (7)	H1W1—O1W—H2W1	114 (2)
C2—N1—H1N1	107.6 (11)
O1Wi—Ni1—O1—C1	−35.21 (9)	Ni1iv—O2—C1—C2	10.54 (16)
O1W—Ni1—O1—C1	144.79 (9)	Ni1—O1—C1—O2	10.33 (16)
O2ii—Ni1—O1—C1	−122.74 (9)	Ni1—O1—C1—C2	−167.51 (7)
O2iii—Ni1—O1—C1	57.26 (9)	O2—C1—C2—N1	167.23 (9)
Ni1iv—O2—C1—O1	−167.25 (8)	O1—C1—C2—N1	−14.75 (14)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1N1···Cl1v	0.886 (18)	2.326 (17)	3.2021 (9)	170.2 (15)
N1—H2N1···Cl1	0.893 (17)	2.404 (17)	3.2673 (11)	162.7 (14)
N1—H3N1···Cl1vi	0.884 (18)	2.446 (18)	3.2442 (11)	150.4 (15)
O1W—H1W1···O2vii	0.840 (18)	2.00 (2)	2.7276 (11)	145 (2)
O1W—H2W1···Cl1	0.81 (2)	2.34 (2)	3.1468 (9)	172.8 (17)
C2—H2B···O1viii	0.938 (17)	2.472 (17)	2.9549 (13)	112.0 (13)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1N1⋯Cl1i	0.886 (18)	2.326 (17)	3.2021 (9)	170.2 (15)
N1—H2N1⋯Cl1	0.893 (17)	2.404 (17)	3.2673 (11)	162.7 (14)
N1—H3N1⋯Cl1ii	0.884 (18)	2.446 (18)	3.2442 (11)	150.4 (15)
O1W—H1W1⋯O2iii	0.840 (18)	2.00 (2)	2.7276 (11)	145 (2)
O1W—H2W1⋯Cl1	0.81 (2)	2.34 (2)	3.1468 (9)	172.8 (17)
C2—H2B⋯O1iv	0.938 (17)	2.472 (17)	2.9549 (13)	112.0 (13)

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