Hexaaqua-cobalt(II) bis-{[N-(4-meth-oxy-2-oxidobenzyl-idene)glycyl-glycinato]copper(II)} hexa-hydrate.

In the crystal structure of the title compound, [Co(H(2)O)(6)][Cu(C(12)H(11)N(2)O(5))](2)·6H(2)O, the Co(II) atom is located on an inversion center and coordinated by six water mol-ecules in a slightly distorted octa-hedral geometry. The Cu(II) atom is chelated by the Schiff base ligand in a distorted CuN(2)O(2) square-planar geometry. An extensive O-H⋯O hydrogen-bonding network is present in the crystal structure.

Related literature

For the magnetic properties of Schiff base complexes, see: Ion et al. (2009 ▶); Wu et al. (2007 ▶); Costes et al. (2006 ▶) and for their optical properties, see: Akine et al. (2008 ▶).

Experimental

Crystal data

[Co(H2O)6][Cu(C12H11N2O5)]2·6H2O

M = 928.66

Triclinic,

a = 7.834 (2) Å

b = 10.835 (3) Å

c = 11.474 (3) Å

α = 76.705 (4)°

β = 76.616 (5)°

γ = 81.085 (4)°

V = 916.7 (4) Å3

Z = 1

Mo Kα radiation

μ = 1.69 mm−1

T = 296 K

0.35 × 0.30 × 0.25 mm

Data collection

Bruker SMART APEX CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.561, T max = 0.658

4773 measured reflections

3345 independent reflections

2801 reflections with I > 2σ(I)

R int = 0.072

Refinement

R[F 2 > 2σ(F 2)] = 0.042

wR(F 2) = 0.105

S = 1.01

3345 reflections

242 parameters

H-atom parameters constrained

Δρmax = 0.59 e Å−3

Δρmin = −0.73 e Å−3

Data collection: SMART (Bruker, 2002 ▶); cell refinement: SAINT-Plus (Bruker, 2003 ▶); data reduction: SAINT-Plus; 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.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809040045/xu2621sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809040045/xu2621Isup2.hkl

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

[Co(H2O)6][Cu(C12H11N2O5)]2·6H2O	Z = 1
Mr = 928.66	F(000) = 479
Triclinic, P1	Dx = 1.682 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.834 (2) Å	Cell parameters from 2213 reflections
b = 10.835 (3) Å	θ = 2.9–27.3°
c = 11.474 (3) Å	µ = 1.69 mm−1
α = 76.705 (4)°	T = 296 K
β = 76.616 (5)°	Block, violet
γ = 81.085 (4)°	0.35 × 0.30 × 0.25 mm
V = 916.7 (4) Å3

Bruker SMART APEX CCD diffractometer	3345 independent reflections
Radiation source: fine-focus sealed tube	2801 reflections with I > 2σ(I)
graphite	Rint = 0.072
φ and ω scans	θmax = 25.5°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −9→9
Tmin = 0.561, Tmax = 0.658	k = −11→13
4773 measured reflections	l = −7→13

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)] = 0.042	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.105	H-atom parameters constrained
S = 1.01	w = 1/[σ2(Fo2) + (0.0518P)2] where P = (Fo2 + 2Fc2)/3
3345 reflections	(Δ/σ)max < 0.001
242 parameters	Δρmax = 0.59 e Å−3
0 restraints	Δρmin = −0.73 e Å−3

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
Cu1	0.03586 (5)	0.20388 (4)	0.98824 (3)	0.02809 (14)
C1	0.2956 (4)	0.0148 (3)	0.9002 (3)	0.0288 (7)
C2	0.4083 (4)	−0.0331 (3)	0.8024 (3)	0.0311 (7)
H2	0.4107	0.0127	0.7229	0.037*
C3	0.5146 (4)	−0.1458 (3)	0.8214 (3)	0.0341 (8)
C4	0.5171 (5)	−0.2159 (3)	0.9394 (3)	0.0374 (8)
H4	0.5912	−0.2913	0.9524	0.045*
C5	0.4078 (5)	−0.1707 (3)	1.0351 (3)	0.0349 (8)
H5	0.4084	−0.2174	1.1139	0.042*
C6	0.2944 (4)	−0.0569 (3)	1.0203 (3)	0.0290 (7)
C7	0.1895 (4)	−0.0188 (3)	1.1282 (3)	0.0315 (7)
H7	0.2013	−0.0715	1.2029	0.038*
C8	−0.0200 (4)	0.1156 (3)	1.2453 (3)	0.0355 (8)
H8A	0.0605	0.1224	1.2957	0.043*
H8B	−0.0942	0.0491	1.2897	0.043*
C9	−0.1332 (4)	0.2406 (3)	1.2200 (3)	0.0300 (7)
C10	−0.2110 (5)	0.4100 (3)	1.0531 (3)	0.0319 (8)
H10A	−0.1755	0.4809	1.0770	0.038*
H10B	−0.3368	0.4073	1.0840	0.038*
C11	−0.1693 (4)	0.4271 (3)	0.9149 (3)	0.0311 (7)
C12	0.6253 (5)	−0.1365 (4)	0.6071 (3)	0.0487 (10)
H12A	0.5082	−0.1290	0.5921	0.073*
H12B	0.7045	−0.1860	0.5535	0.073*
H12C	0.6631	−0.0531	0.5921	0.073*
N1	0.0808 (4)	0.0818 (3)	1.1303 (2)	0.0294 (6)
N2	−0.1159 (4)	0.2923 (3)	1.1028 (2)	0.0302 (6)
O1	0.1993 (3)	0.1241 (2)	0.87335 (19)	0.0314 (5)
O2	−0.2285 (3)	0.2879 (2)	1.30684 (19)	0.0365 (6)
O3	−0.0524 (3)	0.3465 (2)	0.86770 (18)	0.0337 (5)
O4	−0.2476 (3)	0.5175 (2)	0.8547 (2)	0.0425 (6)
O5	0.6258 (3)	−0.1980 (2)	0.7310 (2)	0.0436 (6)
Co1	1.0000	0.5000	0.5000	0.02696 (17)
O6	0.9561 (3)	0.3322 (2)	0.6289 (2)	0.0422 (6)
H6A	0.8856	0.2887	0.6164	0.063*
H6B	0.9396	0.3336	0.7039	0.063*
O7	0.7348 (3)	0.5271 (2)	0.4914 (2)	0.0393 (6)
H7A	0.7050	0.5904	0.4409	0.059*
H7B	0.6609	0.5097	0.5534	0.059*
O8	0.9612 (3)	0.6042 (2)	0.63661 (19)	0.0357 (6)
H8D	0.9732	0.6820	0.6039	0.054*
H8C	1.0367	0.5755	0.6815	0.054*
O9	0.3966 (3)	0.2928 (2)	0.6876 (2)	0.0478 (7)
H9A	0.4091	0.3533	0.7196	0.072*
H9B	0.3299	0.2420	0.7389	0.072*
O10	0.5032 (3)	0.5168 (3)	0.7098 (2)	0.0452 (6)
H10C	0.4526	0.5916	0.6909	0.068*
H10D	0.5707	0.5161	0.7582	0.068*
O11	0.7326 (4)	0.1922 (3)	0.5697 (2)	0.0491 (7)
H11A	0.7595	0.2283	0.4950	0.074*
H11B	0.6310	0.2231	0.6018	0.074*

	U11	U22	U33	U12	U13	U23
Cu1	0.0315 (2)	0.0310 (2)	0.0209 (2)	0.00299 (17)	−0.00540 (16)	−0.00771 (16)
C1	0.0265 (16)	0.0292 (18)	0.0336 (18)	−0.0023 (14)	−0.0083 (14)	−0.0106 (14)
C2	0.0335 (18)	0.0302 (18)	0.0312 (18)	−0.0003 (14)	−0.0098 (14)	−0.0084 (14)
C3	0.0295 (17)	0.0325 (18)	0.046 (2)	−0.0015 (14)	−0.0095 (15)	−0.0177 (15)
C4	0.0353 (19)	0.0305 (19)	0.051 (2)	0.0035 (15)	−0.0192 (17)	−0.0109 (16)
C5	0.0366 (19)	0.0319 (19)	0.0382 (19)	−0.0023 (15)	−0.0156 (16)	−0.0042 (15)
C6	0.0278 (17)	0.0296 (18)	0.0322 (17)	−0.0018 (14)	−0.0112 (14)	−0.0072 (14)
C7	0.0341 (18)	0.0321 (19)	0.0291 (17)	−0.0062 (15)	−0.0118 (14)	−0.0004 (14)
C8	0.0344 (19)	0.051 (2)	0.0214 (17)	−0.0016 (16)	−0.0083 (14)	−0.0062 (15)
C9	0.0267 (17)	0.043 (2)	0.0249 (17)	−0.0097 (14)	−0.0056 (13)	−0.0117 (14)
C10	0.0396 (19)	0.0333 (19)	0.0216 (16)	0.0021 (15)	−0.0027 (14)	−0.0107 (13)
C11	0.0351 (18)	0.0315 (18)	0.0262 (17)	−0.0017 (15)	−0.0039 (14)	−0.0089 (14)
C12	0.051 (2)	0.051 (2)	0.043 (2)	0.0067 (19)	−0.0047 (18)	−0.0211 (19)
N1	0.0312 (15)	0.0335 (15)	0.0240 (14)	−0.0003 (12)	−0.0086 (11)	−0.0059 (11)
N2	0.0368 (15)	0.0339 (15)	0.0209 (14)	0.0019 (12)	−0.0071 (12)	−0.0104 (11)
O1	0.0336 (12)	0.0337 (13)	0.0241 (11)	0.0067 (10)	−0.0051 (9)	−0.0077 (9)
O2	0.0381 (13)	0.0494 (15)	0.0235 (12)	−0.0015 (11)	−0.0046 (10)	−0.0143 (10)
O3	0.0432 (14)	0.0339 (13)	0.0193 (11)	0.0092 (11)	−0.0040 (10)	−0.0068 (9)
O4	0.0522 (16)	0.0382 (15)	0.0287 (13)	0.0167 (12)	−0.0068 (11)	−0.0055 (11)
O5	0.0431 (15)	0.0411 (15)	0.0464 (15)	0.0105 (12)	−0.0076 (12)	−0.0198 (12)
Co1	0.0287 (3)	0.0336 (4)	0.0202 (3)	−0.0038 (3)	−0.0041 (2)	−0.0092 (2)
O6	0.0604 (17)	0.0434 (15)	0.0260 (12)	−0.0160 (13)	−0.0119 (12)	−0.0036 (11)
O7	0.0298 (13)	0.0549 (16)	0.0304 (13)	−0.0001 (11)	−0.0061 (10)	−0.0061 (11)
O8	0.0415 (14)	0.0399 (14)	0.0288 (12)	−0.0091 (11)	−0.0055 (10)	−0.0117 (10)
O9	0.0488 (16)	0.0482 (16)	0.0418 (15)	−0.0069 (13)	−0.0050 (12)	−0.0029 (12)
O10	0.0388 (15)	0.0585 (17)	0.0375 (14)	0.0058 (12)	−0.0061 (11)	−0.0168 (12)
O11	0.0525 (17)	0.0562 (17)	0.0404 (15)	−0.0107 (13)	−0.0101 (13)	−0.0095 (13)

Cu1—O1	1.877 (2)	C10—H10A	0.9700
Cu1—N2	1.887 (3)	C10—H10B	0.9700
Cu1—N1	1.913 (3)	C11—O4	1.229 (4)
Cu1—O3	1.977 (2)	C11—O3	1.278 (4)
C1—O1	1.315 (4)	C12—O5	1.426 (4)
C1—C2	1.406 (4)	C12—H12A	0.9600
C1—C6	1.416 (4)	C12—H12B	0.9600
C2—C3	1.371 (5)	C12—H12C	0.9600
C2—H2	0.9300	Co1—O7	2.075 (2)
C3—O5	1.361 (4)	Co1—O7i	2.075 (2)
C3—C4	1.394 (5)	Co1—O8i	2.076 (2)
C4—C5	1.364 (5)	Co1—O8	2.076 (2)
C4—H4	0.9300	Co1—O6	2.081 (2)
C5—C6	1.404 (4)	Co1—O6i	2.081 (2)
C5—H5	0.9300	O6—H6A	0.8345
C6—C7	1.427 (4)	O6—H6B	0.8434
C7—N1	1.276 (4)	O7—H7A	0.8307
C7—H7	0.9300	O7—H7B	0.8112
C8—N1	1.465 (4)	O8—H8D	0.8503
C8—C9	1.508 (5)	O8—H8C	0.8499
C8—H8A	0.9700	O9—H9A	0.8497
C8—H8B	0.9700	O9—H9B	0.8485
C9—O2	1.258 (4)	O10—H10C	0.8493
C9—N2	1.317 (4)	O10—H10D	0.8488
C10—N2	1.440 (4)	O11—H11A	0.8484
C10—C11	1.516 (4)	O11—H11B	0.8481
O1—Cu1—N2	175.78 (11)	O3—C11—C10	117.5 (3)
O1—Cu1—N1	96.59 (10)	O5—C12—H12A	109.5
N2—Cu1—N1	84.11 (11)	O5—C12—H12B	109.5
O1—Cu1—O3	96.05 (9)	H12A—C12—H12B	109.5
N2—Cu1—O3	83.37 (10)	O5—C12—H12C	109.5
N1—Cu1—O3	167.30 (10)	H12A—C12—H12C	109.5
O1—C1—C2	117.3 (3)	H12B—C12—H12C	109.5
O1—C1—C6	124.7 (3)	C7—N1—C8	122.0 (3)
C2—C1—C6	118.1 (3)	C7—N1—Cu1	124.6 (2)
C3—C2—C1	121.5 (3)	C8—N1—Cu1	113.4 (2)
C3—C2—H2	119.2	C9—N2—C10	125.0 (3)
C1—C2—H2	119.2	C9—N2—Cu1	118.7 (2)
O5—C3—C2	124.6 (3)	C10—N2—Cu1	116.28 (19)
O5—C3—C4	114.6 (3)	C1—O1—Cu1	124.7 (2)
C2—C3—C4	120.9 (3)	C11—O3—Cu1	114.35 (19)
C5—C4—C3	118.2 (3)	C3—O5—C12	118.5 (3)
C5—C4—H4	120.9	O7—Co1—O7i	179.998 (1)
C3—C4—H4	120.9	O7—Co1—O8i	86.87 (9)
C4—C5—C6	123.1 (3)	O7i—Co1—O8i	93.13 (9)
C4—C5—H5	118.4	O7—Co1—O8	93.13 (9)
C6—C5—H5	118.4	O7i—Co1—O8	86.87 (9)
C5—C6—C1	118.2 (3)	O8i—Co1—O8	179.999 (1)
C5—C6—C7	117.6 (3)	O7—Co1—O6	89.45 (10)
C1—C6—C7	124.2 (3)	O7i—Co1—O6	90.55 (10)
N1—C7—C6	125.2 (3)	O8i—Co1—O6	88.61 (9)
N1—C7—H7	117.4	O8—Co1—O6	91.39 (9)
C6—C7—H7	117.4	O7—Co1—O6i	90.55 (10)
N1—C8—C9	110.3 (3)	O7i—Co1—O6i	89.45 (10)
N1—C8—H8A	109.6	O8i—Co1—O6i	91.39 (9)
C9—C8—H8A	109.6	O8—Co1—O6i	88.61 (9)
N1—C8—H8B	109.6	O6—Co1—O6i	179.999 (1)
C9—C8—H8B	109.6	Co1—O6—H6A	115.2
H8A—C8—H8B	108.1	Co1—O6—H6B	119.2
O2—C9—N2	126.1 (3)	H6A—O6—H6B	110.8
O2—C9—C8	120.4 (3)	Co1—O7—H7A	115.5
N2—C9—C8	113.5 (3)	Co1—O7—H7B	119.8
N2—C10—C11	108.2 (3)	H7A—O7—H7B	114.9
N2—C10—H10A	110.1	Co1—O8—H8D	109.1
C11—C10—H10A	110.1	Co1—O8—H8C	109.7
N2—C10—H10B	110.1	H8D—O8—H8C	109.4
C11—C10—H10B	110.1	H9A—O9—H9B	109.9
H10A—C10—H10B	108.4	H10C—O10—H10D	109.7
O4—C11—O3	123.8 (3)	H11A—O11—H11B	110.0
O4—C11—C10	118.7 (3)

D—H···A	D—H	H···A	D···A	D—H···A
O6—H6A···O11	0.83	1.94	2.771 (4)	174
O6—H6B···O3ii	0.84	1.93	2.765 (3)	169
O7—H7A···O9iii	0.83	1.95	2.757 (3)	165
O7—H7B···O10	0.81	1.94	2.723 (3)	162
O8—H8C···O2iv	0.85	2.31	2.812 (3)	118
O9—H9A···O10	0.85	1.99	2.769 (4)	152
O9—H9B···O1	0.85	1.96	2.798 (3)	172
O10—H10C···O2v	0.85	2.02	2.783 (3)	149
O10—H10D···O4ii	0.85	2.00	2.844 (4)	173
O11—H11A···O2vi	0.85	2.09	2.916 (3)	164
O11—H11B···O9	0.85	2.00	2.844 (4)	176

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O6—H6A⋯O11	0.83	1.94	2.771 (4)	174
O6—H6B⋯O3i	0.84	1.93	2.765 (3)	169
O7—H7A⋯O9ii	0.83	1.95	2.757 (3)	165
O7—H7B⋯O10	0.81	1.94	2.723 (3)	162
O8—H8C⋯O2iii	0.85	2.31	2.812 (3)	118
O9—H9A⋯O10	0.85	1.99	2.769 (4)	152
O9—H9B⋯O1	0.85	1.96	2.798 (3)	172
O10—H10C⋯O2iv	0.85	2.02	2.783 (3)	149
O10—H10D⋯O4i	0.85	2.00	2.844 (4)	173
O11—H11A⋯O2v	0.85	2.09	2.916 (3)	164
O11—H11B⋯O9	0.85	2.00	2.844 (4)	176

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