catena-Poly[[[diaqua­bis(8-hydroxy­quinoline N-oxide-κO1)cobalt(II)]-μ-2,5-dimethyl­pyrazine 1,4-dioxide-κ2O1:O4] bis­(perchlorate)]

Gu, L.Q.; Li, J.M.

doi:10.1107/S1600536810008895

metal-organic compounds

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 66| Part 4| April 2010| Page m401

doi:10.1107/S1600536810008895

Open

access

catena-Poly[[[diaquabis(8-hydroxyquinoline N-oxide-κO¹)cobalt(II)]-μ-2,5-dimethylpyrazine 1,4-dioxide-κ²O¹:O⁴] bis(perchlorate)]

Li Qin Gu ^a and Jin Min Li ^a ^*

^aSchool of Chemistry and Chemical Engineering, Shanxi Datong University, Datong 037009, People's Republic of China
^*Correspondence e-mail: jinminli1957@yahoo.com.cn

(Received 1 March 2010; accepted 8 March 2010; online 13 March 2010)

In the title complex, {[Co(C₆H₈N₂O₂)(C₉H₇NO₂)(H₂O)₂](ClO₄)₂}_n, the Co^II ion lies on an inversion centre and is coordinated in a slightly distorted octahedral environment. The 2,5-dimethylpyrazine 1,4-dioxide ligand, which also lies on an inversion center, acts as a bridging ligand, linking symmetry-related Co^II ions [Co⋯Co = 8.669 (3) Å] and forming one-dimensional chains along the b axis. In the crystal structure, these chains are linked by intermolecular aqua–perchlorate O—H⋯O hydrogen bonds, forming two-dimensional layers which are in turn connected into a three-dimensional network via π–π stacking interactions between quinoline rings, with a centroid–centroid distance of 3.580 (3) Å. An intermolecular O—H⋯Cl interaction is also present.

Related literature

For the isostructural Mn(II) complex, see:, see: Shi et al. (2009 ).

Experimental

Crystal data

[Co(C₆H₈N₂O₂)(C₉H₇NO₂)(H₂O)₂](ClO₄)₂
M_r = 756.32
Triclinic, $[P \overline 1]$
a = 8.530 (3) Å
b = 8.669 (3) Å
c = 11.182 (3) Å
α = 84.319 (4)°
β = 86.077 (4)°
γ = 63.475 (4)°
V = 735.9 (4) Å³
Z = 1
Mo Kα radiation
μ = 0.85 mm⁻¹
T = 298 K
0.44 × 0.37 × 0.17 mm

Data collection

Bruker SMART APEX CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ) T_min = 0.706, T_max = 0.869
3772 measured reflections
2617 independent reflections
2267 reflections with I > 2σ(I)
R_int = 0.022

Refinement

R[F² > 2σ(F²)] = 0.063
wR(F²) = 0.184
S = 1.06
2617 reflections
215 parameters
H-atom parameters constrained
Δρ_max = 0.89 e Å⁻³
Δρ_min = −0.60 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H9⋯O7ⁱ	0.84	2.59	3.324 (15)	146
O3—H9⋯O5ⁱ	0.84	2.42	3.219 (16)	159
O3—H8⋯O5ⁱⁱ	0.84	2.63	3.234 (13)	130
O3—H8⋯O6ⁱⁱ	0.84	2.14	2.970 (7)	166
O3—H8⋯Cl1ⁱⁱ	0.84	2.95	3.739 (3)	155
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) x, y, z+1.

Data collection: SMART (Bruker, 1997 ); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; 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.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810008895/lh5007sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536810008895/lh5007Isup2.hkl

checkCIF report

Comment top

The derivatives of pyrazine 1,4-dioxide and 8-hydroxyquinoline N-oxide play vital roles in a modern coordination chemistry and the isostructural Mn(II) complex of the title compound has already been published (Shi et al., 2009). Our interest in designing new complexes led to us obtaining the title complex, (I), and we report the crystal structure herein.

The coordination geometry of Co^II ion in (I) is shown in Fig. 1. The Co^II ion is located on inversion centre and assumes a slightly distorted octahedral CoO₆ coordination geometry. The centrosymmetric pyrazine 1,4-dioxide ligand functions as bridging connecting two symmetry related Co^II ions with a separation of 8.669 (3) Å, forming one-dimensional chains along the b axis. In the crystal structure, these chains are linked by intermolecular O-H_aqua···O_perchlorate hydrogen bonds to form two-dimensional layers. In addition, there are π–π stacking interactions (Fig. 2) between neighbouring layers involving quilinoline rings with relevant distances being Cg1···Cg2ⁱ = 3.580 (3) Å and Cg1···Cg2ⁱ_perp = 3.410 Å and α = 3.19° [symmetry code (i) 2-x, -y, 1-z; Cg1 and Cg2 are the centroids of C8—C12/N1 ring and C4—C9 ring, respectively; Cg1···Cg2ⁱ_perp is the perpendicular distance from ring Cg1 to ring Cg2ⁱ; α is the dihedral angle between ring plane Cg1 and ring plane Cg2ⁱ].

Related literature top

For the isostructural Mn(II) complex, see: , see: Shi et al. (2009).

Experimental top

10 ml ethanol solution of 8-hydroxyquinoline N-oxide (0.2015 g, 1.25 mmol) was added into 10 ml of aqueous solution containing hydrated cobalt perchlorate (0.2291 g, 0.626 mmol) and 2,5-dimethylpyrazine 1,4-dioxide (0.0895 g, 0.639 mmol). The resulting solution was stirred for a few minutes. The red single crystals were obtained from the filtrate by slow evaporation for about three weeks.

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. View of coordination environment in (I), showing the the atom numbering scheme with displacement ellipsoids drawn at the 30% probability level; Symmetry code: (i) -x+2, -y, -z+2.
	Fig. 2. Part of the crystal structure showing π–π stacking interaction (dashed lines) between adjacent two-dimensional layers.

catena-Poly[[[diaquabis(8-hydroxyquinoline N-oxide-κO¹)cobalt(II)]-µ-2,5-dimethylpyrazine 1,4-dioxide-κ²O¹:O⁴] bis(perchlorate)] top

Crystal data top

[Co(C₆H₈N₂O₂)(C₉H₇NO₂)(H₂O)₂](ClO₄)₂	Z = 1
M_r = 756.32	F(000) = 387
Triclinic, P1	D_x = 1.707 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.530 (3) Å	Cell parameters from 1924 reflections
b = 8.669 (3) Å	θ = 2.6–27.6°
c = 11.182 (3) Å	µ = 0.85 mm⁻¹
α = 84.319 (4)°	T = 298 K
β = 86.077 (4)°	Block, red
γ = 63.475 (4)°	0.44 × 0.37 × 0.17 mm
V = 735.9 (4) Å³

Data collection top

Bruker SMART APEX CCD diffractometer	2617 independent reflections
Radiation source: fine-focus sealed tube	2267 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.022
ϕ and ω scans	θ_max = 25.3°, θ_min = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −10→10
T_min = 0.706, T_max = 0.869	k = −9→10
3772 measured reflections	l = −13→9

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)] = 0.063	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.184	H-atom parameters constrained
S = 1.06	w = 1/[σ²(F_o²) + (0.1181P)² + 0.9504P] where P = (F_o² + 2F_c²)/3
2617 reflections	(Δ/σ)_max = 0.001
215 parameters	Δρ_max = 0.89 e Å⁻³
0 restraints	Δρ_min = −0.60 e Å⁻³

Crystal data top

[Co(C₆H₈N₂O₂)(C₉H₇NO₂)(H₂O)₂](ClO₄)₂	γ = 63.475 (4)°
M_r = 756.32	V = 735.9 (4) Å³
Triclinic, P1	Z = 1
a = 8.530 (3) Å	Mo Kα radiation
b = 8.669 (3) Å	µ = 0.85 mm⁻¹
c = 11.182 (3) Å	T = 298 K
α = 84.319 (4)°	0.44 × 0.37 × 0.17 mm
β = 86.077 (4)°

Data collection top

Bruker SMART APEX CCD diffractometer	2617 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	2267 reflections with I > 2σ(I)
T_min = 0.706, T_max = 0.869	R_int = 0.022
3772 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.063	0 restraints
wR(F²) = 0.184	H-atom parameters constrained
S = 1.06	Δρ_max = 0.89 e Å⁻³
2617 reflections	Δρ_min = −0.60 e Å⁻³
215 parameters

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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	1.1372 (5)	0.4195 (5)	0.9207 (3)	0.0297 (8)
C2	0.9253 (6)	0.4091 (5)	1.0618 (3)	0.0315 (9)
H2	0.8746	0.3450	1.1054	0.038*
C3	1.2850 (6)	0.3280 (6)	0.8383 (4)	0.0444 (11)
H3A	1.3785	0.2370	0.8829	0.067*
H3B	1.3256	0.4077	0.7992	0.067*
H3C	1.2475	0.2797	0.7790	0.067*
C4	1.0908 (7)	0.2478 (7)	0.5122 (4)	0.0484 (12)
H4	1.1911	0.2641	0.4964	0.058*
C5	1.0843 (6)	0.1442 (6)	0.6116 (4)	0.0346 (9)
C6	0.9521 (8)	0.3287 (7)	0.4349 (4)	0.0539 (13)
H6	0.9609	0.3976	0.3681	0.065*
C7	0.8036 (8)	0.3083 (7)	0.4557 (4)	0.0542 (13)
H7	0.7117	0.3632	0.4029	0.065*
C8	0.7873 (6)	0.2052 (6)	0.5563 (4)	0.0385 (10)
C9	0.9281 (6)	0.1257 (5)	0.6372 (3)	0.0311 (9)
C10	0.7684 (6)	−0.0009 (6)	0.7554 (4)	0.0372 (10)
H10	0.7620	−0.0699	0.8229	0.045*
C11	0.6310 (6)	0.0691 (6)	0.6755 (4)	0.0402 (10)
H11	0.5354	0.0443	0.6879	0.048*
C12	0.6390 (6)	0.1744 (7)	0.5792 (4)	0.0450 (11)
H12	0.5451	0.2268	0.5278	0.054*
Cl1	0.38256 (16)	0.38330 (16)	0.21191 (10)	0.0453 (4)
Co1	1.0000	0.0000	1.0000	0.0255 (3)
N1	0.9070 (4)	0.0284 (4)	0.7373 (3)	0.0294 (7)
N2	1.0584 (4)	0.3301 (4)	0.9833 (3)	0.0272 (7)
O1	1.0368 (4)	−0.0431 (4)	0.8181 (2)	0.0336 (7)
O2	1.1177 (4)	0.1644 (4)	0.9666 (3)	0.0362 (7)
O3	0.7397 (4)	0.1908 (4)	0.9808 (3)	0.0399 (7)
H8	0.6631	0.2000	1.0353	0.060*
H9	0.7058	0.2760	0.9292	0.060*
O4	0.4024 (10)	0.3329 (9)	0.3327 (5)	0.124 (2)
O5	0.4894 (19)	0.4538 (19)	0.1748 (10)	0.250 (7)
O6	0.4261 (10)	0.2460 (8)	0.1370 (6)	0.116 (2)
O7	0.2142 (12)	0.5000 (16)	0.1965 (7)	0.235 (7)
O8	1.2287 (4)	0.0584 (5)	0.6787 (3)	0.0483 (8)
H1	1.1957	0.0109	0.7386	0.072*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.035 (2)	0.029 (2)	0.0296 (19)	−0.0179 (18)	0.0033 (16)	−0.0039 (15)
C2	0.040 (2)	0.033 (2)	0.029 (2)	−0.0230 (19)	0.0056 (16)	−0.0033 (16)
C3	0.050 (3)	0.040 (3)	0.050 (3)	−0.026 (2)	0.019 (2)	−0.015 (2)
C4	0.063 (3)	0.050 (3)	0.043 (3)	−0.036 (3)	0.011 (2)	−0.010 (2)
C5	0.040 (2)	0.037 (2)	0.031 (2)	−0.0203 (19)	0.0026 (17)	−0.0093 (17)
C6	0.081 (4)	0.045 (3)	0.038 (3)	−0.032 (3)	0.004 (2)	0.005 (2)
C7	0.067 (4)	0.054 (3)	0.037 (3)	−0.024 (3)	−0.008 (2)	0.006 (2)
C8	0.042 (2)	0.038 (2)	0.033 (2)	−0.014 (2)	−0.0034 (18)	−0.0055 (18)
C9	0.042 (2)	0.027 (2)	0.0264 (19)	−0.0159 (18)	0.0032 (16)	−0.0081 (15)
C10	0.041 (2)	0.040 (2)	0.035 (2)	−0.022 (2)	0.0060 (18)	−0.0096 (18)
C11	0.035 (2)	0.050 (3)	0.039 (2)	−0.021 (2)	0.0050 (18)	−0.014 (2)
C12	0.039 (3)	0.051 (3)	0.038 (2)	−0.012 (2)	−0.0062 (19)	−0.008 (2)
Cl1	0.0507 (7)	0.0481 (7)	0.0414 (6)	−0.0273 (6)	−0.0088 (5)	0.0098 (5)
Co1	0.0320 (4)	0.0199 (4)	0.0251 (4)	−0.0122 (3)	−0.0005 (3)	−0.0010 (3)
N1	0.0329 (18)	0.0289 (17)	0.0272 (16)	−0.0136 (15)	0.0010 (13)	−0.0068 (13)
N2	0.0329 (18)	0.0207 (16)	0.0309 (17)	−0.0143 (14)	0.0018 (13)	−0.0045 (13)
O1	0.0326 (15)	0.0389 (16)	0.0279 (14)	−0.0145 (13)	−0.0049 (11)	0.0006 (12)
O2	0.0453 (17)	0.0230 (14)	0.0449 (17)	−0.0197 (13)	0.0127 (13)	−0.0097 (12)
O3	0.0368 (17)	0.0344 (16)	0.0402 (17)	−0.0095 (14)	−0.0003 (13)	0.0018 (13)
O4	0.156 (6)	0.124 (5)	0.059 (3)	−0.036 (4)	−0.032 (3)	0.028 (3)
O5	0.369 (17)	0.364 (17)	0.208 (11)	−0.334 (16)	0.114 (10)	−0.095 (11)
O6	0.180 (7)	0.107 (4)	0.100 (4)	−0.098 (5)	0.025 (4)	−0.029 (3)
O7	0.135 (7)	0.290 (12)	0.109 (5)	0.074 (7)	−0.065 (5)	−0.057 (7)
O8	0.0461 (19)	0.068 (2)	0.0434 (18)	−0.0375 (18)	−0.0012 (14)	0.0017 (16)

Geometric parameters (Å, º) top

C1—N2	1.355 (5)	C10—N1	1.315 (6)
C1—C2ⁱ	1.367 (6)	C10—C11	1.392 (6)
C1—C3	1.470 (6)	C10—H10	0.9300
C2—N2	1.348 (5)	C11—C12	1.360 (7)
C2—C1ⁱ	1.367 (6)	C11—H11	0.9300
C2—H2	0.9300	C12—H12	0.9300
C3—H3A	0.9600	Cl1—O5	1.330 (7)
C3—H3B	0.9600	Cl1—O7	1.348 (7)
C3—H3C	0.9600	Cl1—O4	1.376 (5)
C4—C5	1.372 (6)	Cl1—O6	1.419 (6)
C4—C6	1.385 (8)	Co1—O2	2.074 (3)
C4—H4	0.9300	Co1—O2ⁱⁱ	2.074 (3)
C5—O8	1.353 (5)	Co1—O1ⁱⁱ	2.082 (3)
C5—C9	1.418 (6)	Co1—O1	2.082 (3)
C6—C7	1.357 (8)	Co1—O3ⁱⁱ	2.104 (3)
C6—H6	0.9300	Co1—O3	2.104 (3)
C7—C8	1.405 (7)	N1—O1	1.357 (4)
C7—H7	0.9300	N2—O2	1.321 (4)
C8—C12	1.407 (7)	O3—H8	0.8448
C8—C9	1.422 (6)	O3—H9	0.8414
C9—N1	1.385 (5)	O8—H1	0.8483

N2—C1—C2ⁱ	117.9 (4)	C11—C12—C8	120.9 (4)
N2—C1—C3	118.7 (4)	C11—C12—H12	119.5
C2ⁱ—C1—C3	123.4 (4)	C8—C12—H12	119.5
N2—C2—C1ⁱ	121.9 (4)	O5—Cl1—O7	110.3 (9)
N2—C2—H2	119.1	O5—Cl1—O4	110.0 (7)
C1ⁱ—C2—H2	119.1	O7—Cl1—O4	107.4 (5)
C1—C3—H3A	109.5	O5—Cl1—O6	105.0 (6)
C1—C3—H3B	109.5	O7—Cl1—O6	109.8 (6)
H3A—C3—H3B	109.5	O4—Cl1—O6	114.4 (4)
C1—C3—H3C	109.5	O2—Co1—O2ⁱⁱ	180.000 (1)
H3A—C3—H3C	109.5	O2—Co1—O1ⁱⁱ	92.05 (12)
H3B—C3—H3C	109.5	O2ⁱⁱ—Co1—O1ⁱⁱ	87.95 (12)
C5—C4—C6	121.8 (5)	O2—Co1—O1	87.95 (12)
C5—C4—H4	119.1	O2ⁱⁱ—Co1—O1	92.05 (12)
C6—C4—H4	119.1	O1ⁱⁱ—Co1—O1	180.000 (1)
O8—C5—C4	119.0 (4)	O2—Co1—O3ⁱⁱ	83.25 (12)
O8—C5—C9	122.4 (4)	O2ⁱⁱ—Co1—O3ⁱⁱ	96.75 (12)
C4—C5—C9	118.5 (4)	O1ⁱⁱ—Co1—O3ⁱⁱ	93.87 (12)
C7—C6—C4	120.6 (5)	O1—Co1—O3ⁱⁱ	86.13 (12)
C7—C6—H6	119.7	O2—Co1—O3	96.75 (12)
C4—C6—H6	119.7	O2ⁱⁱ—Co1—O3	83.25 (12)
C6—C7—C8	120.7 (5)	O1ⁱⁱ—Co1—O3	86.13 (12)
C6—C7—H7	119.7	O1—Co1—O3	93.87 (12)
C8—C7—H7	119.7	O3ⁱⁱ—Co1—O3	180.000 (1)
C7—C8—C12	122.8 (4)	C10—N1—O1	118.8 (3)
C7—C8—C9	118.6 (4)	C10—N1—C9	122.6 (4)
C12—C8—C9	118.6 (4)	O1—N1—C9	118.5 (3)
N1—C9—C5	122.8 (4)	O2—N2—C2	121.6 (3)
N1—C9—C8	117.5 (4)	O2—N2—C1	118.2 (3)
C5—C9—C8	119.7 (4)	C2—N2—C1	120.2 (3)
N1—C10—C11	121.4 (4)	N1—O1—Co1	123.9 (2)
N1—C10—H10	119.3	N2—O2—Co1	130.8 (2)
C11—C10—H10	119.3	Co1—O3—H8	120.6
C12—C11—C10	118.8 (4)	Co1—O3—H9	125.3
C12—C11—H11	120.6	H8—O3—H9	112.8
C10—C11—H11	120.6	C5—O8—H1	104.7

C6—C4—C5—O8	175.1 (4)	C5—C9—N1—O1	4.2 (5)
C6—C4—C5—C9	−2.3 (7)	C8—C9—N1—O1	−177.5 (3)
C5—C4—C6—C7	0.3 (8)	C1ⁱ—C2—N2—O2	−179.8 (4)
C4—C6—C7—C8	0.2 (8)	C1ⁱ—C2—N2—C1	1.5 (7)
C6—C7—C8—C12	−177.4 (5)	C2ⁱ—C1—N2—O2	179.8 (3)
C6—C7—C8—C9	1.3 (7)	C3—C1—N2—O2	−0.4 (6)
O8—C5—C9—N1	4.7 (6)	C2ⁱ—C1—N2—C2	−1.5 (6)
C4—C5—C9—N1	−178.0 (4)	C3—C1—N2—C2	178.3 (4)
O8—C5—C9—C8	−173.5 (4)	C10—N1—O1—Co1	−58.2 (4)
C4—C5—C9—C8	3.8 (6)	C9—N1—O1—Co1	123.5 (3)
C7—C8—C9—N1	178.3 (4)	O2—Co1—O1—N1	−103.8 (3)
C12—C8—C9—N1	−2.9 (6)	O2ⁱⁱ—Co1—O1—N1	76.2 (3)
C7—C8—C9—C5	−3.3 (6)	O1ⁱⁱ—Co1—O1—N1	−52 (100)
C12—C8—C9—C5	175.4 (4)	O3ⁱⁱ—Co1—O1—N1	172.8 (3)
N1—C10—C11—C12	−2.2 (7)	O3—Co1—O1—N1	−7.2 (3)
C10—C11—C12—C8	3.4 (7)	C2—N2—O2—Co1	21.7 (5)
C7—C8—C12—C11	177.8 (5)	C1—N2—O2—Co1	−159.6 (3)
C9—C8—C12—C11	−0.9 (7)	O2ⁱⁱ—Co1—O2—N2	22 (100)
C11—C10—N1—O1	180.0 (4)	O1ⁱⁱ—Co1—O2—N2	−58.9 (3)
C11—C10—N1—C9	−1.9 (6)	O1—Co1—O2—N2	121.1 (3)
C5—C9—N1—C10	−173.9 (4)	O3ⁱⁱ—Co1—O2—N2	−152.5 (3)
C8—C9—N1—C10	4.4 (6)	O3—Co1—O2—N2	27.5 (3)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O3—H9···O7ⁱⁱⁱ	0.84	2.59	3.324 (15)	146
O3—H9···O5ⁱⁱⁱ	0.84	2.42	3.219 (16)	159
O3—H8···O5^iv	0.84	2.63	3.234 (13)	130
O3—H8···O6^iv	0.84	2.14	2.970 (7)	166
O3—H8···Cl1^iv	0.84	2.95	3.739 (3)	155

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

Experimental details

Crystal data
Chemical formula	[Co(C₆H₈N₂O₂)(C₉H₇NO₂)(H₂O)₂](ClO₄)₂
M_r	756.32
Crystal system, space group	Triclinic, P1
Temperature (K)	298
a, b, c (Å)	8.530 (3), 8.669 (3), 11.182 (3)
α, β, γ (°)	84.319 (4), 86.077 (4), 63.475 (4)
V (Å³)	735.9 (4)
Z	1
Radiation type	Mo Kα
µ (mm⁻¹)	0.85
Crystal size (mm)	0.44 × 0.37 × 0.17

Data collection
Diffractometer	Bruker SMART APEX CCD diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.706, 0.869
No. of measured, independent and observed [I > 2σ(I)] reflections	3772, 2617, 2267
R_int	0.022
(sin θ/λ)_max (Å⁻¹)	0.601

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.063, 0.184, 1.06
No. of reflections	2617
No. of parameters	215
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.89, −0.60

Computer programs: SMART (Bruker, 1997), SAINT (Bruker, 1997), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O3—H9···O7ⁱ	0.84	2.59	3.324 (15)	145.9
O3—H9···O5ⁱ	0.84	2.42	3.219 (16)	158.8
O3—H8···O5ⁱⁱ	0.84	2.63	3.234 (13)	129.5
O3—H8···O6ⁱⁱ	0.84	2.14	2.970 (7)	165.8
O3—H8···Cl1ⁱⁱ	0.84	2.95	3.739 (3)	155.4

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

References

Bruker (1997). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Shi, J. M., Meng, X. Z., Sun, Y. M., Xu, H. Y., Shi, W., Cheng, P. & Liu, L. D. (2009). J. Mol. Struct. 917, 164–169. Web of Science CSD CrossRef CAS Google Scholar

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.