catena-Poly[[aqua­(pyrazino[2,3-f][1,10]phenanthroline-κ2N8,N9)cobalt(II)]-μ-pyrazine-2,3-dicarboxyl­ato-κ3N1O2:O3]

Xu, Z.-L.; Li, X.-Y.; Che, G.-B.; Lu, L.; Xu, C.-H.

doi:10.1107/S1600536808027177

metal-organic compounds

CRYSTALLOGRAPHIC
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ISSN: 2056-9890

Volume 64| Part 9| September 2008| Pages m1215-m1216

doi:10.1107/S1600536808027177

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catena-Poly[[aqua(pyrazino[2,3-f][1,10]phenanthroline-κ²N⁸,N⁹)cobalt(II)]-μ-pyrazine-2,3-dicarboxylato-κ³N¹O²:O³]

Zhan-Lin Xu,^a Xiu-Ying Li,^a Guang-Bo Che,^a ^* Lu Lu ^a and Chun-Hui Xu ^a

^aDepartment of Chemistry, Jilin Normal University, Siping 136000, People's Republic of China
^*Correspondence e-mail: guangbochejl@yahoo.com

(Received 5 August 2008; accepted 23 August 2008; online 30 August 2008)

In the title compound, [Co(C₆H₂N₂O₄)(C₁₄H₈N₄)(H₂O)]_n, the Co atom is bonded to one N,N′-bidentate pyrazino[2,3-f][1,10]phenanthroline (Pyphen) ligand, one N,O-bidentate pyrazine-2,3-dicarboxylate (PZDC) dianion and one water molecule in a distorted octahedral mer-CoN₃O₃ geometry. The Co^II atoms are bridged by the PZDC dianions, forming an infinite one-dimensional chain running along the b axis. Adjacent chains pack together through π–π stacking interactions [centroid–centroid separations = 3.498 (4) and 3.528 (4) Å], and O—H⋯O and O—H⋯N hydrogen bonds involving the water molecule complete the structure.

Related literature

For related structures, see: Che et al. (2008 ); Liu et al. (2008 ). For the synthesis of the ligand, see: Che et al. (2006 ).

Experimental

Crystal data

[Co(C₆H₂N₂O₄)(C₁₄H₈N₄)(H₂O)]
M_r = 475.29
Triclinic, $[P \overline 1]$
a = 6.8430 (14) Å
b = 7.4455 (15) Å
c = 17.454 (4) Å
α = 93.64 (3)°
β = 95.99 (3)°
γ = 97.61 (3)°
V = 873.9 (3) Å³
Z = 2
Mo Kα radiation
μ = 1.04 mm⁻¹
T = 292 (2) K
0.41 × 0.33 × 0.19 mm

Data collection

Bruker SMART CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2002 ) T_min = 0.672, T_max = 0.823
7576 measured reflections
3434 independent reflections
1541 reflections with I > 2σ(I)
R_int = 0.114

Refinement

R[F² > 2σ(F²)] = 0.070
wR(F²) = 0.161
S = 0.92
3434 reflections
297 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.45 e Å⁻³
Δρ_min = −0.65 e Å⁻³

Table 1
Selected bond lengths (Å)

Co—N1	2.116 (5)
Co—N2	2.124 (5)
Co—N5	2.135 (5)
Co—O3ⁱ	2.050 (5)
Co—O1W	2.110 (5)
Co—O1	2.125 (5)
Symmetry code: (i) x, y-1, z.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—HW1A⋯O4ⁱⁱ	0.95 (7)	1.76 (7)	2.680 (7)	164 (6)
O1W—HW1B⋯N6ⁱⁱⁱ	0.78 (7)	2.15 (7)	2.851 (8)	149 (7)
Symmetry codes: (ii) x-1, y-1, z; (iii) -x+1, -y+1, -z+2.

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; 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/S1600536808027177/hb2775sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536808027177/hb2775Isup2.hkl

checkCIF report

Comment top

As part of our ongoing studies of supramolecular architectures containing pyrazino[2,3-f][1,10]phenanthroline (Pyphen) (Che, Liu et al., 2008; Liu et al., 2008), we selected pyrazine-2,3-dicarboxylic acid (H₂PZDC) as a linker and Pyphen as a secondary ligandin combination with Co²⁺ ions, forming the title compound, (I), a new coordination polymer, which is reported here.

In compound (I), each Co atom is six-coordinated by three N atoms from one Pyphen ligand and one PZDC^2- ligand, and three O atoms from two PZDC^2- ligands and one water molecule in a slightly distorted octahedral geometry (Fig. 1) with O1W, N1, N2 and N5 forming the equatorial plane, and O1 and O3 in the axial positions (Table 1). One carboxylate oxygen atom and pyrazine nitrogen atom of PZDC^2- chelate one Co(II) ion, while the other carboxylate oxygen atom is coordinated to another Co(II) ion in a monodentate fashion, forming an infinite one-dimensional chain running along the b axis (Fig. 2).

Adjacent chains pack together through π-π stacking interactions between the Pyphen ligands at a centroid separation of 3.498 (4) Å and between the PZDC^2- ligands from adjacent one-dimensional chains at centroid separation 3.528 (4)Å, resulting in a three-dimensional supramolecular structure (Fig. 3).

Finally, O—H···O and O—H···N hydrogen bonds involving the water molecules and the O4 and N6 atoms of the PZDC^2- dianion acceptors complete the structure of (I) (Table 2).

Related literature top

For related structures, see: Che et al. (2008); Liu et al. (2008). For the synthesis of the ligand, see: Che et al. (2006).

Experimental top

The Pyphen ligand was synthesized according to the literature method (Che et al., 2006). A mixture of Pyphen, H₂PZDC, Co(NO₃)₂ and water in a molar ratio of 1:1:1:5000 was sealed in a Teflon-lined autoclave and heated to 433 K for 3 d. Upon cooling and opening the bomb, yellow blocks of (I) were obtained (76% yield based on Co).

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT (Bruker, 2002); 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 asymmetric unit of (I), expanded to show the metal coordination sphere. Displacement ellipsoids are drawn at the 30% probability level (arbitrary spheres for the H atoms). [Symmetry code: (i) x, y - 1, z.]
	Fig. 2. View of one-dimensional chain structure of (I). H atoms have been omitted.
	Fig. 3. View of three-dimensional superamolecular structure of (I) built up via π-π interactions. H atoms have been omitted.

catena-Poly[[aqua(pyrazino[2,3-f][1,10]phenanthroline-κ²N⁸,N⁹) cobalt(II)]-µ-pyrazine-2,3-dicarboxylato-κ³N¹O²:O³] top

Crystal data top

[Co(C₆H₂N₂O₄)(C₁₄H₈N₄)(H₂O)]	Z = 2
M_r = 475.29	F(000) = 482
Triclinic, P1	D_x = 1.806 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.8430 (14) Å	Cell parameters from 2411 reflections
b = 7.4455 (15) Å	θ = 2.4–26.0°
c = 17.454 (4) Å	µ = 1.04 mm⁻¹
α = 93.64 (3)°	T = 292 K
β = 95.99 (3)°	Block, yellow
γ = 97.61 (3)°	0.41 × 0.33 × 0.19 mm
V = 873.9 (3) Å³

Data collection top

Bruker SMART CCD diffractometer	3434 independent reflections
Radiation source: fine-focus sealed tube	1541 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.114
ω scans	θ_max = 26.1°, θ_min = 2.4°
Absorption correction: multi-scan (SADABS; Bruker, 2002)	h = −8→8
T_min = 0.672, T_max = 0.823	k = −9→9
7576 measured reflections	l = −20→21

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)] = 0.070	Hydrogen site location: difmap and geom
wR(F²) = 0.161	H atoms treated by a mixture of independent and constrained refinement
S = 0.92	w = 1/[σ²(F_o²) + (0.0488P)²] where P = (F_o² + 2F_c²)/3
3434 reflections	(Δ/σ)_max < 0.001
297 parameters	Δρ_max = 0.45 e Å⁻³
0 restraints	Δρ_min = −0.65 e Å⁻³

Crystal data top

[Co(C₆H₂N₂O₄)(C₁₄H₈N₄)(H₂O)]	γ = 97.61 (3)°
M_r = 475.29	V = 873.9 (3) Å³
Triclinic, P1	Z = 2
a = 6.8430 (14) Å	Mo Kα radiation
b = 7.4455 (15) Å	µ = 1.04 mm⁻¹
c = 17.454 (4) Å	T = 292 K
α = 93.64 (3)°	0.41 × 0.33 × 0.19 mm
β = 95.99 (3)°

Data collection top

Bruker SMART CCD diffractometer	3434 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2002)	1541 reflections with I > 2σ(I)
T_min = 0.672, T_max = 0.823	R_int = 0.114
7576 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.070	0 restraints
wR(F²) = 0.161	H atoms treated by a mixture of independent and constrained refinement
S = 0.92	Δρ_max = 0.45 e Å⁻³
3434 reflections	Δρ_min = −0.65 e Å⁻³
297 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
C1	0.1297 (9)	−0.2248 (9)	0.7468 (4)	0.0382 (19)
H1	0.0668	−0.2119	0.7912	0.046*
C2	0.0341 (10)	−0.3449 (9)	0.6867 (4)	0.042 (2)
H2	−0.0854	−0.4160	0.6918	0.050*
C3	0.1202 (10)	−0.3567 (9)	0.6187 (4)	0.0378 (18)
H3	0.0554	−0.4305	0.5761	0.045*
C4	0.3067 (10)	−0.2560 (9)	0.6148 (4)	0.0334 (17)
C5	0.4113 (10)	−0.2614 (9)	0.5466 (4)	0.0309 (17)
C6	0.4200 (11)	−0.3667 (10)	0.4217 (4)	0.047 (2)
H6	0.3620	−0.4352	0.3767	0.057*
C7	0.6080 (12)	−0.2729 (10)	0.4227 (4)	0.046 (2)
H7	0.6723	−0.2817	0.3785	0.056*
C8	0.6015 (10)	−0.1635 (9)	0.5474 (4)	0.0377 (19)
C9	0.6942 (9)	−0.0530 (9)	0.6161 (4)	0.0307 (17)
C10	0.8851 (10)	0.0455 (9)	0.6205 (4)	0.0368 (18)
H10	0.9584	0.0432	0.5785	0.044*
C11	0.9615 (10)	0.1464 (9)	0.6892 (4)	0.0383 (19)
H11	1.0859	0.2162	0.6939	0.046*
C12	0.8503 (10)	0.1414 (9)	0.7502 (4)	0.0390 (19)
H12	0.9055	0.2066	0.7963	0.047*
C13	0.5930 (9)	−0.0467 (8)	0.6809 (4)	0.0306 (17)
C14	0.3934 (9)	−0.1466 (8)	0.6793 (4)	0.0283 (16)
C15	0.6273 (9)	0.4436 (8)	0.8808 (3)	0.0243 (15)
C16	0.7009 (9)	0.6013 (9)	0.9285 (4)	0.0287 (16)
C17	0.7670 (9)	0.4280 (10)	1.0288 (4)	0.0352 (18)
H17	0.8113	0.4179	1.0804	0.042*
C18	0.7034 (9)	0.2695 (9)	0.9810 (4)	0.0314 (17)
H18	0.7119	0.1568	1.0002	0.038*
C19	0.5404 (10)	0.4446 (10)	0.7980 (4)	0.0346 (18)
C20	0.7100 (11)	0.7927 (9)	0.9014 (4)	0.0329 (17)
N1	0.3064 (8)	−0.1266 (7)	0.7451 (3)	0.0311 (14)
N2	0.6678 (8)	0.0493 (7)	0.7479 (3)	0.0328 (14)
N3	0.3191 (8)	−0.3632 (7)	0.4820 (3)	0.0376 (15)
N4	0.7025 (8)	−0.1691 (8)	0.4849 (3)	0.0386 (15)
N5	0.6314 (7)	0.2789 (7)	0.9087 (3)	0.0292 (14)
N6	0.7668 (7)	0.5927 (7)	1.0039 (3)	0.0321 (14)
O1	0.4150 (7)	0.3020 (6)	0.7750 (2)	0.0389 (12)
O2	0.5959 (7)	0.5679 (7)	0.7600 (3)	0.0494 (14)
O1W	0.2264 (8)	0.0860 (8)	0.8973 (3)	0.0411 (14)
O3	0.5474 (7)	0.8538 (6)	0.8915 (3)	0.0368 (12)
O4	0.8788 (7)	0.8715 (7)	0.8956 (3)	0.0536 (15)
Co	0.46559 (14)	0.06529 (13)	0.83165 (5)	0.0332 (3)
HW1A	0.113 (11)	0.005 (10)	0.905 (4)	0.06 (3)*
HW1B	0.200 (10)	0.182 (10)	0.910 (4)	0.05 (3)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.029 (4)	0.047 (5)	0.037 (5)	−0.004 (4)	0.011 (3)	0.000 (4)
C2	0.040 (4)	0.046 (5)	0.034 (5)	−0.016 (4)	0.010 (4)	−0.001 (4)
C3	0.038 (4)	0.037 (5)	0.034 (5)	−0.001 (4)	−0.004 (4)	−0.006 (4)
C4	0.034 (4)	0.027 (4)	0.038 (4)	−0.001 (3)	0.004 (3)	−0.002 (3)
C5	0.040 (4)	0.032 (4)	0.021 (4)	0.008 (3)	0.001 (3)	0.004 (3)
C6	0.051 (5)	0.064 (6)	0.025 (4)	0.002 (4)	0.009 (4)	−0.008 (4)
C7	0.059 (6)	0.051 (6)	0.032 (5)	0.014 (4)	0.012 (4)	0.001 (4)
C8	0.036 (4)	0.030 (4)	0.053 (5)	0.008 (4)	0.024 (4)	0.011 (4)
C9	0.031 (4)	0.036 (5)	0.024 (4)	0.003 (3)	0.004 (3)	−0.001 (3)
C10	0.032 (4)	0.034 (5)	0.046 (5)	0.006 (3)	0.009 (4)	0.005 (4)
C11	0.032 (4)	0.039 (5)	0.044 (5)	−0.003 (3)	0.016 (4)	0.008 (4)
C12	0.039 (5)	0.038 (5)	0.040 (5)	0.003 (4)	0.002 (4)	0.011 (4)
C13	0.038 (4)	0.022 (4)	0.030 (4)	0.001 (3)	−0.003 (3)	0.000 (3)
C14	0.034 (4)	0.015 (4)	0.034 (4)	−0.001 (3)	0.000 (3)	0.002 (3)
C15	0.030 (4)	0.020 (4)	0.025 (4)	0.007 (3)	0.004 (3)	0.005 (3)
C16	0.025 (4)	0.030 (4)	0.031 (4)	0.001 (3)	0.008 (3)	0.003 (3)
C17	0.039 (4)	0.039 (5)	0.027 (4)	0.004 (4)	0.001 (3)	0.005 (4)
C18	0.033 (4)	0.026 (4)	0.038 (5)	0.004 (3)	0.012 (3)	0.012 (3)
C19	0.039 (4)	0.032 (5)	0.035 (5)	0.006 (4)	0.013 (4)	−0.001 (4)
C20	0.036 (4)	0.030 (5)	0.031 (4)	−0.005 (4)	0.010 (4)	−0.001 (3)
N1	0.030 (3)	0.026 (3)	0.037 (4)	0.002 (3)	0.006 (3)	0.000 (3)
N2	0.035 (3)	0.030 (3)	0.032 (4)	−0.006 (3)	0.009 (3)	0.000 (3)
N3	0.044 (4)	0.038 (4)	0.029 (4)	0.004 (3)	0.003 (3)	0.001 (3)
N4	0.041 (4)	0.045 (4)	0.032 (4)	0.006 (3)	0.013 (3)	0.004 (3)
N5	0.026 (3)	0.035 (4)	0.030 (4)	0.007 (3)	0.009 (3)	0.011 (3)
N6	0.028 (3)	0.029 (4)	0.038 (4)	−0.003 (3)	0.011 (3)	0.002 (3)
O1	0.050 (3)	0.032 (3)	0.030 (3)	−0.003 (2)	−0.003 (2)	0.001 (2)
O2	0.063 (4)	0.041 (4)	0.043 (3)	−0.002 (3)	0.008 (3)	0.007 (3)
O1W	0.035 (3)	0.030 (4)	0.055 (4)	−0.009 (3)	0.015 (3)	−0.009 (3)
O3	0.036 (3)	0.033 (3)	0.045 (3)	0.006 (2)	0.014 (2)	0.009 (2)
O4	0.042 (3)	0.050 (4)	0.064 (4)	−0.017 (3)	0.009 (3)	0.009 (3)
Co	0.0347 (6)	0.0307 (6)	0.0323 (6)	−0.0037 (4)	0.0069 (4)	0.0004 (4)

Geometric parameters (Å, º) top

C1—N1	1.332 (7)	C13—N2	1.345 (8)
C1—C2	1.383 (9)	C13—C14	1.463 (9)
C1—H1	0.9300	C14—N1	1.357 (7)
C2—C3	1.381 (8)	C15—N5	1.351 (7)
C2—H2	0.9300	C15—C16	1.399 (8)
C3—C4	1.403 (9)	C15—C19	1.504 (9)
C3—H3	0.9300	C16—N6	1.353 (8)
C4—C14	1.378 (8)	C16—C20	1.525 (9)
C4—C5	1.453 (9)	C17—N6	1.328 (8)
C5—N3	1.364 (8)	C17—C18	1.393 (8)
C5—C8	1.403 (9)	C17—H17	0.9300
C6—N3	1.318 (8)	C18—N5	1.315 (8)
C6—C7	1.378 (9)	C18—H18	0.9300
C6—H6	0.9300	C19—O2	1.211 (7)
C7—N4	1.345 (8)	C19—O1	1.288 (7)
C7—H7	0.9300	C20—O4	1.242 (7)
C8—N4	1.353 (8)	C20—O3	1.257 (8)
C8—C9	1.446 (9)	Co—N1	2.116 (5)
C9—C13	1.389 (8)	Co—N2	2.124 (5)
C9—C10	1.403 (9)	Co—N5	2.135 (5)
C10—C11	1.389 (9)	Co—O3ⁱ	2.050 (5)
C10—H10	0.9300	Co—O1W	2.110 (5)
C11—C12	1.370 (8)	Co—O1	2.125 (5)
C11—H11	0.9300	O1W—HW1A	0.95 (7)
C12—N2	1.338 (8)	O1W—HW1B	0.78 (7)
C12—H12	0.9300	O3—Coⁱⁱ	2.050 (5)

N1—C1—C2	124.0 (7)	N6—C16—C20	115.1 (6)
N1—C1—H1	118.0	C15—C16—C20	123.7 (6)
C2—C1—H1	118.0	N6—C17—C18	122.7 (6)
C3—C2—C1	118.5 (6)	N6—C17—H17	118.6
C3—C2—H2	120.7	C18—C17—H17	118.6
C1—C2—H2	120.7	N5—C18—C17	120.2 (6)
C2—C3—C4	119.1 (6)	N5—C18—H18	119.9
C2—C3—H3	120.5	C17—C18—H18	119.9
C4—C3—H3	120.5	O2—C19—O1	127.2 (7)
C14—C4—C3	117.7 (6)	O2—C19—C15	120.0 (7)
C14—C4—C5	119.0 (6)	O1—C19—C15	112.7 (6)
C3—C4—C5	123.4 (6)	O4—C20—O3	128.2 (7)
N3—C5—C8	121.2 (6)	O4—C20—C16	115.6 (7)
N3—C5—C4	118.2 (6)	O3—C20—C16	116.1 (6)
C8—C5—C4	120.6 (6)	C1—N1—C14	116.6 (6)
N3—C6—C7	122.6 (7)	C1—N1—Co	127.8 (5)
N3—C6—H6	118.7	C14—N1—Co	115.5 (4)
C7—C6—H6	118.7	C12—N2—C13	116.6 (6)
N4—C7—C6	122.8 (7)	C12—N2—Co	127.5 (5)
N4—C7—H7	118.6	C13—N2—Co	115.3 (4)
C6—C7—H7	118.6	C6—N3—C5	116.3 (6)
N4—C8—C5	121.5 (7)	C7—N4—C8	115.6 (6)
N4—C8—C9	118.3 (6)	C18—N5—C15	119.2 (6)
C5—C8—C9	120.2 (6)	C18—N5—Co	127.6 (5)
C13—C9—C10	118.4 (6)	C15—N5—Co	112.2 (4)
C13—C9—C8	119.1 (6)	C17—N6—C16	116.7 (6)
C10—C9—C8	122.6 (6)	C19—O1—Co	114.9 (4)
C11—C10—C9	118.1 (6)	Co—O1W—HW1A	134 (4)
C11—C10—H10	121.0	Co—O1W—HW1B	120 (6)
C9—C10—H10	121.0	HW1A—O1W—HW1B	104 (7)
C12—C11—C10	118.9 (7)	C20—O3—Coⁱⁱ	131.4 (4)
C12—C11—H11	120.6	O3ⁱ—Co—O1W	91.3 (2)
C10—C11—H11	120.6	O3ⁱ—Co—N1	88.77 (19)
N2—C12—C11	124.5 (7)	O1W—Co—N1	96.0 (2)
N2—C12—H12	117.7	O3ⁱ—Co—N2	96.21 (19)
C11—C12—H12	117.7	O1W—Co—N2	169.4 (2)
N2—C13—C9	123.6 (6)	N1—Co—N2	76.8 (2)
N2—C13—C14	115.9 (6)	O3ⁱ—Co—O1	173.06 (19)
C9—C13—C14	120.5 (6)	O1W—Co—O1	91.9 (2)
N1—C14—C4	123.9 (6)	N1—Co—O1	96.98 (19)
N1—C14—C13	115.5 (6)	N2—Co—O1	81.41 (19)
C4—C14—C13	120.6 (6)	O3ⁱ—Co—N5	96.8 (2)
N5—C15—C16	119.9 (6)	O1W—Co—N5	87.2 (2)
N5—C15—C19	116.4 (6)	N1—Co—N5	173.5 (2)
C16—C15—C19	123.7 (6)	N2—Co—N5	99.2 (2)
N6—C16—C15	121.2 (6)	O1—Co—N5	77.22 (19)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—HW1A···O4ⁱⁱⁱ	0.95 (7)	1.76 (7)	2.680 (7)	164 (6)
O1W—HW1B···N6^iv	0.78 (7)	2.15 (7)	2.851 (8)	149 (7)

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

Experimental details

Crystal data
Chemical formula	[Co(C₆H₂N₂O₄)(C₁₄H₈N₄)(H₂O)]
M_r	475.29
Crystal system, space group	Triclinic, P1
Temperature (K)	292
a, b, c (Å)	6.8430 (14), 7.4455 (15), 17.454 (4)
α, β, γ (°)	93.64 (3), 95.99 (3), 97.61 (3)
V (Å³)	873.9 (3)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	1.04
Crystal size (mm)	0.41 × 0.33 × 0.19

Data collection
Diffractometer	Bruker SMART CCD diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2002)
T_min, T_max	0.672, 0.823
No. of measured, independent and observed [I > 2σ(I)] reflections	7576, 3434, 1541
R_int	0.114
(sin θ/λ)_max (Å⁻¹)	0.618

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.070, 0.161, 0.92
No. of reflections	3434
No. of parameters	297
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.45, −0.65

Computer programs: SMART (Bruker, 2002), SAINT (Bruker, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top

Co—N1	2.116 (5)	Co—O3ⁱ	2.050 (5)
Co—N2	2.124 (5)	Co—O1W	2.110 (5)
Co—N5	2.135 (5)	Co—O1	2.125 (5)

Symmetry code: (i) x, y−1, z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—HW1A···O4ⁱⁱ	0.95 (7)	1.76 (7)	2.680 (7)	164 (6)
O1W—HW1B···N6ⁱⁱⁱ	0.78 (7)	2.15 (7)	2.851 (8)	149 (7)

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

Acknowledgements

The authors thank the Doctoral Foundation of Jilin Normal University (Nos. 2006006 and 2007009) and the Subject and Base Construction Foundation of Jilin Normal University (No. 2006041).

References

Bruker (2002). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Che, G.-B., Li, W.-L., Kong, Z.-G., Su, Z.-S., Chu, B., Li, B., Zhang, Z.-Q., Hu, Z.-Z. & Chi, H.-J. (2006). Synth. Commun. 36, 2519–2524. Web of Science CrossRef CAS Google Scholar
Che, G.-B., Liu, C.-B., Liu, B., Wang, Q.-W. & Xu, Z.-L. (2008). CrystEngComm, 10, 184–191. Web of Science CSD CrossRef CAS Google Scholar
Liu, C.-B., Che, G.-B., Wang, Q.-W. & Xu, Z.-L. (2008). Chin. J. Inorg. Chem. 24, 835–838. CAS Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar

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