catena-Poly[[[aqua­(pyridine-2,6-dicarboxyl­ato N-oxide-κ2O1,O2)cobalt(II)]-μ-1,3-di-4-pyridylpropane-κ2N:N′] dihydrate]

Wang, L.-J.

doi:10.1107/S1600536808032741

metal-organic compounds

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ISSN: 2056-9890

Volume 64| Part 11| November 2008| Pages m1415-m1416

doi:10.1107/S1600536808032741

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catena-Poly[[[aqua(pyridine-2,6-dicarboxylato N-oxide-κ²O¹,O²)cobalt(II)]-μ-1,3-di-4-pyridylpropane-κ²N:N′] dihydrate]

Li-Jin Wang ^a ^*

^aDepartment of Chemistry, Lishui University, Lishui 323000, Zhejiang, People's Republic of China
^*Correspondence e-mail: lswlj2008@yahoo.cn

(Received 4 October 2008; accepted 10 October 2008; online 18 October 2008)

In the title compound, {[Co(C₇H₃NO₅)(C₁₃H₁₄N₂)(H₂O)]·2H₂O}_n, the Co^II atom is coordinated by two O atoms from a pyridine-2,6-dicarboxylate N-oxide ligand, two N atoms from two 1,3-di-4-pyridylpropane ligands and one water molecule, and displays a distorted square-pyramidal coordination geometry. The 1,3-di-4-pyridylpropane ligands link the Co^II atoms into an infinite zigzag chain parallel to [010]. The chains are further linked through O—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional supramolecular network.

Related literature

For related literature on metal complexes with pyridine-2,6-dicarboxylate N-oxide, see: Nathan et al. (1985 ); Wen et al. (2005 , 2006 ); Wu et al. (2007 ). For related literature on metal complexes with 1,3-di-4-pyridylpropane, see: Konar et al. (2003 ); Lai & Tiekink (2004 ); Li et al. (2004 ).

Experimental

Crystal data

[Co(C₇H₃NO₅)(C₁₃H₁₄N₂)(H₂O)]·2H₂O
M_r = 492.34
Monoclinic, P 2₁ /c
a = 10.2712 (12) Å
b = 11.5251 (13) Å
c = 18.309 (2) Å
β = 90.521 (2)°
V = 2167.3 (4) Å³
Z = 4
Mo Kα radiation
μ = 0.84 mm⁻¹
T = 296 (2) K
0.35 × 0.29 × 0.25 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ) T_min = 0.751, T_max = 0.817
10818 measured reflections
3897 independent reflections
2170 reflections with I > 2σ(I)
R_int = 0.064

Refinement

R[F² > 2σ(F²)] = 0.059
wR(F²) = 0.175
S = 1.00
3897 reflections
290 parameters
9 restraints
H-atom parameters constrained
Δρ_max = 0.66 e Å⁻³
Δρ_min = −0.40 e Å⁻³

Table 1
Selected bond lengths (Å)

Co1—O1	1.927 (4)
Co1—O5	1.932 (3)
Co1—N2	1.994 (4)
Co1—N3ⁱ	2.000 (4)
Co1—O1W	2.184 (4)
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—H1W⋯O3ⁱⁱ	0.82	1.83	2.635 (5)	165
O1W—H2W⋯O2W	0.82	1.99	2.732 (6)	150
O2W—H3W⋯O3Wⁱⁱⁱ	0.84	2.55	3.018 (9)	117
O2W—H4W⋯O3	0.84	1.98	2.778 (6)	157
O3W—H5W⋯O2	0.84	2.01	2.828 (7)	166
O3W—H6W⋯O4^iv	0.82	2.19	2.935 (7)	150
C3—H3⋯O4^v	0.93	2.46	3.364 (8)	165
C9—H9⋯O5^vi	0.93	2.46	3.366 (7)	164
C15—H15A⋯O2^vii	0.97	2.57	3.492 (7)	159
C18—H18⋯O3W^vi	0.93	2.55	3.369 (7)	149
Symmetry codes: (ii) $[-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (iii) $[-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (iv) x, y+1, z; (v) -x+1, -y, -z+1; (vi) $[-x, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (vii) $[x, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2007 ); cell refinement: SAINT (Bruker, 2007); 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 I, global. DOI: 10.1107/S1600536808032741/hy2158sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536808032741/hy2158Isup2.hkl

checkCIF report

Comment top

In the structural investigation of metal complexes with pyridine-2,6-dicarboxylate-N-oxide (pdco), it has been found that pdco functions as a multidentate ligand with versatile coordination modes (Nathan et al., 1985; Wen et al., 2005, 2006; Wu et al., 2007). As is well known, 1,3-di-4-pyridylpropane may act in bidentate bridging or monodentate terminal modes, leading to the formation of one-, two- or three-dimensional network (Konar et al., 2003; Lai & Tiekink, 2004; Li et al., 2004). On the basis of these observations, we utilize pdco, 1,3-di-4-pyridylpropane and Co^II ion as building blocks. A new one-dimensional coordination framework has been obtained from the hydrothermal treatment in an alkaline aqueous solution.

As illustrated in Fig. 1, the Co^II atom exists in a distorted square-pyramidal environment, defined by two O atoms from one pdco ligand, two N atoms from two 1,3-di-4-pyridylpropane ligands and one water molecule (Table 1). The O1, O5, N2, N3ⁱ atoms (i = x, -1 + y, z) in the basal plane are alomst coplanar, and a water molecule lies at the apical position. The 1,3-di-4-pyridylpropane ligand in a bidentate bridging mode links the Co^II atoms into an infinite zigzag chain, with the shortest Co···Co separation of 11.525 (3)Å and a Co—C13—Coⁱⁱ angle (ii = x, 1 + y, z) of 100.06 (4)°. The chains are further self-assembled into a three-dimensional supramolecular network through O—H···O and C—H···O hydrogen bonds (Table 2; Fig. 2).

Related literature top

For related literature on metal complexes with pyridine-2,6-dicarboxylate N-oxide, see: Nathan et al. (1985); Wen et al. (2005, 2006); Wu et al. (2007). For related literature on metal complexes with 1,3-di-4-pyridylpropane, see: Konar et al. (2003); Lai & Tiekink (2004); Li et al. (2004).

Experimental top

A mixture of cobalt chloride (0.238 g, 1 mmol), pyridine-2,6-dicarboxylic acid N-oxide (0.181 g, 1 mmol), 1,3-di-4-pyridylpropane (0.198 g, 1 mmol), NaOH (0.06 g, 1.5 mmol) and H₂O (12 ml) was placed in a 23 ml Teflon-lined reactor, which was heated to 433 K for 3 d and then cooled to room temperature at a rate of 10 K h^-1. The crystals obtained were washed with water and dryed in air.

Computing details top

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); 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 structure of the title compound. Displacement ellipsoids are drawn at the 30% probability level. H atoms have been omitted for clarity. [Symmetry code: (i) x, -1 + y, z.]
	Fig. 2. A packing view of the title compound. Hydrogen bonds are shown as dashed lines.

catena-Poly[[[aqua(pyridine-2,6-dicarboxylato N-oxide- κ²O¹,O²)cobalt(II)]-µ-1,3-di-4-pyridylpropane- κ²N:N'] dihydrate] top

Crystal data top

[Co(C₇H₃NO₅)(C₁₃H₁₄N₂)(H₂O)]·2H₂O	F(000) = 1020
M_r = 492.34	D_x = 1.509 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 5837 reflections
a = 10.2712 (12) Å	θ = 2.8–27.9°
b = 11.5251 (13) Å	µ = 0.84 mm⁻¹
c = 18.309 (2) Å	T = 296 K
β = 90.521 (2)°	Block, colorless
V = 2167.3 (4) Å³	0.35 × 0.29 × 0.25 mm
Z = 4

Data collection top

Bruker SMART APEXII CCD area-detector diffractometer	3897 independent reflections
Radiation source: fine-focus sealed tube	2170 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.064
ϕ and ω scans	θ_max = 25.2°, θ_min = 2.0°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −12→12
T_min = 0.751, T_max = 0.817	k = −13→13
10818 measured reflections	l = −20→21

Refinement top

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)] = 0.059	H-atom parameters constrained
wR(F²) = 0.175	w = 1/[σ²(F_o²) + (0.0828P)²] where P = (F_o² + 2F_c²)/3
S = 1.00	(Δ/σ)_max < 0.001
3897 reflections	Δρ_max = 0.66 e Å⁻³
290 parameters	Δρ_min = −0.40 e Å⁻³
9 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0030 (8)

Crystal data top

[Co(C₇H₃NO₅)(C₁₃H₁₄N₂)(H₂O)]·2H₂O	V = 2167.3 (4) Å³
M_r = 492.34	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 10.2712 (12) Å	µ = 0.84 mm⁻¹
b = 11.5251 (13) Å	T = 296 K
c = 18.309 (2) Å	0.35 × 0.29 × 0.25 mm
β = 90.521 (2)°

Data collection top

Bruker SMART APEXII CCD area-detector diffractometer	3897 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	2170 reflections with I > 2σ(I)
T_min = 0.751, T_max = 0.817	R_int = 0.064
10818 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.059	9 restraints
wR(F²) = 0.175	H-atom parameters constrained
S = 1.00	Δρ_max = 0.66 e Å⁻³
3897 reflections	Δρ_min = −0.40 e Å⁻³
290 parameters

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
O4	0.3287 (4)	−0.0221 (4)	0.4108 (2)	0.0776 (13)
N3	0.2102 (4)	1.1756 (4)	0.1902 (2)	0.0519 (11)
C19	0.2965 (6)	1.0894 (5)	0.1927 (3)	0.0622 (16)
H19	0.3729	1.1009	0.2194	0.075*
C20	0.2794 (6)	0.9841 (5)	0.1583 (3)	0.0609 (15)
H20	0.3432	0.9272	0.1621	0.073*
C18	0.1003 (5)	1.1549 (5)	0.1514 (3)	0.0568 (15)
H18	0.0376	1.2129	0.1486	0.068*
C17	0.0769 (6)	1.0515 (5)	0.1159 (3)	0.0597 (15)
H17	−0.0007	1.0411	0.0902	0.072*
C16	0.1677 (5)	0.9631 (5)	0.1180 (3)	0.0565 (14)
C15	0.1470 (6)	0.8479 (5)	0.0794 (3)	0.0647 (16)
H15A	0.1842	0.8532	0.0310	0.078*
H15B	0.1948	0.7885	0.1059	0.078*
Co1	0.24328 (6)	0.32149 (5)	0.24652 (3)	0.0423 (3)
O5	0.2788 (4)	0.2215 (3)	0.32898 (19)	0.0565 (10)
N2	0.1568 (4)	0.4237 (4)	0.1728 (2)	0.0522 (11)
O2	0.2658 (5)	0.5550 (4)	0.4120 (2)	0.0892 (15)
O1	0.2384 (4)	0.4531 (3)	0.3113 (2)	0.0777 (13)
O3	0.4937 (4)	0.0354 (3)	0.3417 (2)	0.0761 (12)
C6	0.3381 (5)	0.3644 (5)	0.4174 (3)	0.0513 (14)
C12	0.1618 (6)	0.5381 (5)	0.0652 (3)	0.0593 (15)
H12	0.2043	0.5575	0.0223	0.071*
N1	0.3424 (4)	0.2545 (4)	0.3900 (2)	0.0494 (11)
C3	0.4691 (6)	0.1910 (6)	0.4901 (3)	0.0702 (18)
H3	0.5156	0.1326	0.5137	0.084*
C7	0.2755 (6)	0.4653 (5)	0.3766 (3)	0.0607 (15)
C2	0.4082 (5)	0.1683 (5)	0.4248 (3)	0.0496 (13)
C13	−0.0066 (6)	0.6897 (4)	0.0347 (3)	0.0660 (17)
H13A	−0.0981	0.6750	0.0252	0.079*
H13B	0.0381	0.6903	−0.0117	0.079*
C10	0.0487 (5)	0.5928 (5)	0.0824 (3)	0.0540 (14)
C1	0.4076 (6)	0.0499 (5)	0.3885 (3)	0.0559 (14)
C5	0.3971 (6)	0.3843 (5)	0.4831 (3)	0.0664 (16)
H5	0.3931	0.4585	0.5029	0.080*
C11	0.2145 (5)	0.4541 (5)	0.1107 (3)	0.0547 (14)
H11	0.2918	0.4180	0.0976	0.066*
C8	0.0451 (6)	0.4774 (5)	0.1890 (3)	0.0675 (17)
H8	0.0037	0.4577	0.2322	0.081*
C4	0.4619 (6)	0.2997 (6)	0.5211 (3)	0.0730 (18)
H4	0.4999	0.3150	0.5663	0.088*
C9	−0.0109 (6)	0.5589 (5)	0.1456 (3)	0.0653 (16)
H9	−0.0899	0.5918	0.1587	0.078*
C14	0.0088 (6)	0.8095 (4)	0.0717 (3)	0.0641 (17)
H14A	−0.0387	0.8667	0.0432	0.077*
H14B	−0.0299	0.8064	0.1198	0.077*
O1W	0.4465 (4)	0.3311 (4)	0.2130 (3)	0.0969 (16)
H1W	0.4767	0.3944	0.2011	0.145*
H2W	0.4891	0.3034	0.2471	0.145*
O2W	0.6417 (5)	0.2145 (5)	0.2840 (3)	0.1170 (19)
H3W	0.6669	0.1724	0.2494	0.175*
H4W	0.5887	0.1753	0.3084	0.175*
O3W	0.2003 (5)	0.7719 (5)	0.3494 (4)	0.141 (2)
H5W	0.2281	0.7061	0.3618	0.212*
H6W	0.2190	0.8220	0.3795	0.212*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
O4	0.089 (3)	0.053 (3)	0.091 (3)	−0.012 (2)	0.005 (2)	0.013 (2)
N3	0.058 (3)	0.044 (3)	0.053 (3)	0.005 (2)	−0.012 (2)	0.000 (2)
C19	0.074 (4)	0.043 (4)	0.069 (4)	0.008 (3)	−0.015 (3)	−0.002 (3)
C20	0.066 (4)	0.045 (4)	0.071 (4)	0.008 (3)	−0.010 (3)	−0.005 (3)
C18	0.061 (4)	0.038 (3)	0.071 (4)	0.006 (3)	−0.012 (3)	0.002 (3)
C17	0.070 (4)	0.038 (3)	0.071 (4)	−0.008 (3)	−0.014 (3)	−0.004 (3)
C16	0.067 (4)	0.043 (3)	0.059 (3)	0.003 (3)	−0.002 (3)	−0.003 (3)
C15	0.080 (4)	0.045 (4)	0.069 (4)	−0.005 (3)	−0.003 (3)	−0.004 (3)
Co1	0.0543 (5)	0.0245 (4)	0.0478 (4)	0.0021 (3)	−0.0085 (3)	0.0006 (3)
O5	0.075 (3)	0.040 (2)	0.054 (2)	0.0000 (19)	−0.0150 (19)	−0.0013 (18)
N2	0.059 (3)	0.042 (3)	0.056 (3)	0.001 (2)	−0.002 (2)	−0.003 (2)
O2	0.133 (4)	0.046 (3)	0.088 (3)	0.019 (3)	−0.033 (3)	−0.024 (2)
O1	0.121 (4)	0.039 (2)	0.072 (3)	0.010 (2)	−0.026 (3)	−0.005 (2)
O3	0.074 (3)	0.048 (3)	0.107 (3)	0.005 (2)	0.022 (3)	−0.008 (2)
C6	0.055 (3)	0.040 (3)	0.059 (3)	0.007 (3)	−0.009 (3)	−0.008 (3)
C12	0.080 (4)	0.048 (4)	0.050 (3)	−0.005 (3)	−0.001 (3)	0.002 (3)
N1	0.055 (3)	0.040 (3)	0.053 (3)	0.001 (2)	−0.007 (2)	0.002 (2)
C3	0.076 (4)	0.066 (5)	0.068 (4)	0.010 (3)	−0.018 (3)	0.010 (3)
C7	0.071 (4)	0.045 (4)	0.066 (4)	0.009 (3)	−0.011 (3)	−0.013 (3)
C2	0.050 (3)	0.044 (3)	0.055 (3)	0.004 (3)	−0.001 (3)	0.004 (3)
C13	0.087 (4)	0.042 (3)	0.069 (4)	0.003 (3)	−0.027 (3)	0.003 (3)
C10	0.059 (3)	0.037 (3)	0.066 (4)	0.001 (3)	−0.013 (3)	−0.003 (3)
C1	0.064 (4)	0.041 (4)	0.062 (4)	0.007 (3)	−0.013 (3)	0.008 (3)
C5	0.086 (4)	0.047 (4)	0.066 (4)	0.006 (3)	−0.014 (3)	−0.008 (3)
C11	0.058 (3)	0.048 (4)	0.058 (3)	0.008 (3)	0.000 (3)	−0.003 (3)
C8	0.068 (4)	0.065 (4)	0.070 (4)	0.015 (3)	0.008 (3)	0.009 (3)
C4	0.088 (5)	0.065 (4)	0.066 (4)	−0.001 (4)	−0.029 (3)	−0.004 (3)
C9	0.068 (4)	0.056 (4)	0.072 (4)	0.015 (3)	0.006 (3)	0.012 (3)
C14	0.078 (4)	0.033 (3)	0.081 (4)	−0.004 (3)	−0.027 (3)	0.005 (3)
O1W	0.074 (3)	0.070 (3)	0.147 (4)	−0.008 (2)	−0.002 (3)	0.047 (3)
O2W	0.116 (4)	0.098 (4)	0.136 (5)	−0.009 (3)	−0.017 (3)	0.034 (4)
O3W	0.115 (4)	0.075 (4)	0.233 (7)	−0.015 (3)	−0.046 (4)	0.024 (4)

Geometric parameters (Å, º) top

O4—C1	1.232 (7)	C12—C10	1.361 (7)
N3—C19	1.332 (6)	C12—C11	1.384 (7)
N3—C18	1.348 (6)	C12—H12	0.9300
N3—Co1ⁱ	2.000 (4)	N1—C2	1.358 (6)
C19—C20	1.378 (7)	C3—C2	1.370 (7)
C19—H19	0.9300	C3—C4	1.377 (8)
C20—C16	1.379 (7)	C3—H3	0.9300
C20—H20	0.9300	C2—C1	1.518 (7)
C18—C17	1.378 (7)	C13—C10	1.524 (7)
C18—H18	0.9300	C13—C14	1.545 (7)
C17—C16	1.381 (7)	C13—H13A	0.9700
C17—H17	0.9300	C13—H13B	0.9700
C16—C15	1.519 (7)	C10—C9	1.371 (7)
C15—C14	1.492 (7)	C5—C4	1.368 (8)
C15—H15A	0.9700	C5—H5	0.9300
C15—H15B	0.9700	C11—H11	0.9300
Co1—O1	1.927 (4)	C8—C9	1.354 (7)
Co1—O5	1.932 (3)	C8—H8	0.9300
Co1—N2	1.994 (4)	C4—H4	0.9300
Co1—N3ⁱⁱ	2.000 (4)	C9—H9	0.9300
Co1—O1W	2.184 (4)	C14—H14A	0.9700
O5—N1	1.344 (5)	C14—H14B	0.9700
N2—C11	1.334 (6)	O1W—H1W	0.8200
N2—C8	1.339 (6)	O1W—H2W	0.8200
O2—C7	1.224 (6)	O2W—H3W	0.8400
O1—C7	1.259 (6)	O2W—H4W	0.8400
O3—C1	1.248 (7)	O3W—H6W	0.8200
C6—C5	1.361 (7)	O3W—H5W	0.8400
C6—N1	1.363 (6)	O3W—H6W	0.8200
C6—C7	1.522 (7)

C19—N3—C18	116.1 (5)	C2—C3—C4	120.5 (6)
C19—N3—Co1ⁱ	119.9 (4)	C2—C3—H3	119.7
C18—N3—Co1ⁱ	123.9 (4)	C4—C3—H3	119.7
N3—C19—C20	123.9 (5)	O2—C7—O1	124.8 (6)
N3—C19—H19	118.0	O2—C7—C6	115.0 (5)
C20—C19—H19	118.0	O1—C7—C6	120.2 (5)
C16—C20—C19	120.1 (5)	N1—C2—C3	119.4 (5)
C16—C20—H20	119.9	N1—C2—C1	116.9 (4)
C19—C20—H20	119.9	C3—C2—C1	123.7 (5)
N3—C18—C17	122.9 (5)	C10—C13—C14	111.6 (4)
N3—C18—H18	118.5	C10—C13—H13A	109.3
C17—C18—H18	118.5	C14—C13—H13A	109.3
C18—C17—C16	120.6 (5)	C10—C13—H13B	109.3
C18—C17—H17	119.7	C14—C13—H13B	109.3
C16—C17—H17	119.7	H13A—C13—H13B	108.0
C20—C16—C17	116.3 (5)	C12—C10—C9	116.8 (5)
C20—C16—C15	121.0 (5)	C12—C10—C13	121.4 (5)
C17—C16—C15	122.7 (5)	C9—C10—C13	121.8 (5)
C14—C15—C16	115.6 (5)	O4—C1—O3	127.6 (6)
C14—C15—H15A	108	O4—C1—C2	117.4 (6)
C16—C15—H15A	108	O3—C1—C2	114.9 (5)
C14—C15—H15B	108	C6—C5—C4	122.7 (6)
C16—C15—H15B	108	C6—C5—H5	118.7
H15A—C15—H15B	107	C4—C5—H5	118.7
O1—Co1—O5	89.67 (16)	N2—C11—C12	121.5 (5)
O1—Co1—N2	86.43 (16)	N2—C11—H11	119.3
O5—Co1—N2	164.02 (17)	C12—C11—H11	119.3
O1—Co1—N3ⁱⁱ	166.97 (19)	N2—C8—C9	123.4 (6)
O5—Co1—N3ⁱⁱ	86.08 (16)	N2—C8—H8	118.3
N2—Co1—N3ⁱⁱ	94.30 (16)	C9—C8—H8	118.3
O1—Co1—O1W	99.39 (19)	C5—C4—C3	117.8 (5)
O5—Co1—O1W	94.32 (16)	C5—C4—H4	121.1
N2—Co1—O1W	101.61 (17)	C3—C4—H4	121.1
N3ⁱⁱ—Co1—O1W	93.21 (18)	C8—C9—C10	120.2 (6)
N1—O5—Co1	124.5 (3)	C8—C9—H9	119.9
C11—N2—C8	117.0 (5)	C10—C9—H9	119.9
C11—N2—Co1	122.3 (4)	C15—C14—C13	113.6 (5)
C8—N2—Co1	120.1 (4)	C15—C14—H14A	108.9
C7—O1—Co1	131.5 (4)	C13—C14—H14A	108.9
C5—C6—N1	117.8 (5)	C15—C14—H14B	108.9
C5—C6—C7	119.1 (5)	C13—C14—H14B	108.9
N1—C6—C7	123.0 (4)	H14A—C14—H14B	107.7
C10—C12—C11	121.0 (5)	Co1—O1W—H1W	118.8
C10—C12—H12	119.5	Co1—O1W—H2W	105.7
C11—C12—H12	119.5	H1W—O1W—H2W	110
O5—N1—C2	114.7 (4)	H3W—O2W—H4W	107
O5—N1—C6	123.5 (4)	H5W—O3W—H6W	112
C2—N1—C6	121.7 (4)

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—H1W···O3ⁱⁱⁱ	0.82	1.83	2.635 (5)	165
O1W—H2W···O2W	0.82	1.99	2.732 (6)	150
O2W—H3W···O3W^iv	0.84	2.55	3.018 (9)	117
O2W—H4W···O3	0.84	1.98	2.778 (6)	157
O3W—H5W···O2	0.84	2.01	2.828 (7)	166
O3W—H6W···O4ⁱ	0.82	2.19	2.935 (7)	150
C3—H3···O4^v	0.93	2.46	3.364 (8)	165
C9—H9···O5^vi	0.93	2.46	3.366 (7)	164
C15—H15A···O2^vii	0.97	2.57	3.492 (7)	159
C18—H18···O3W^vi	0.93	2.55	3.369 (7)	149

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

Experimental details

Crystal data
Chemical formula	[Co(C₇H₃NO₅)(C₁₃H₁₄N₂)(H₂O)]·2H₂O
M_r	492.34
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	296
a, b, c (Å)	10.2712 (12), 11.5251 (13), 18.309 (2)
β (°)	90.521 (2)
V (Å³)	2167.3 (4)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	0.84
Crystal size (mm)	0.35 × 0.29 × 0.25

Data collection
Diffractometer	Bruker SMART APEXII CCD area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.751, 0.817
No. of measured, independent and observed [I > 2σ(I)] reflections	10818, 3897, 2170
R_int	0.064
(sin θ/λ)_max (Å⁻¹)	0.599

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.059, 0.175, 1.00
No. of reflections	3897
No. of parameters	290
No. of restraints	9
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.66, −0.40

Computer programs: APEX2 (Bruker, 2007), SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top

Co1—O1	1.927 (4)	Co1—N3ⁱ	2.000 (4)
Co1—O5	1.932 (3)	Co1—O1W	2.184 (4)
Co1—N2	1.994 (4)

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—H1W···O3ⁱⁱ	0.82	1.83	2.635 (5)	165
O1W—H2W···O2W	0.82	1.99	2.732 (6)	150
O2W—H3W···O3Wⁱⁱⁱ	0.84	2.55	3.018 (9)	117
O2W—H4W···O3	0.84	1.98	2.778 (6)	157
O3W—H5W···O2	0.84	2.01	2.828 (7)	166
O3W—H6W···O4^iv	0.82	2.19	2.935 (7)	150
C3—H3···O4^v	0.93	2.46	3.364 (8)	165
C9—H9···O5^vi	0.93	2.46	3.366 (7)	164
C15—H15A···O2^vii	0.97	2.57	3.492 (7)	159
C18—H18···O3W^vi	0.93	2.55	3.369 (7)	149

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

Acknowledgements

The author is grateful to Lishui University for financial support.

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