catena-Poly[[diaqua-bis-(isoquinoline-κN)cobalt(II)]-μ-succinato-κO:O].

In the title compound, [Co(C(4)H(4)O(4))(C(9)H(7)N)(2)(H(2)O)(2)](n), the Co(II) cation, located on an inversion center, is coordinated by two succinate anions, two isoquinoline ligands and two water mol-ecules in a distorted octa-hedral geometry. The succinate anion, located across another inversion center, bridges the Co cations, forming polymeric chains running along the b axis. The partially overlapped arrangement of parallel isoquinoline ring systems of adjacent polymeric chains and the shorter face-to-face distance of 3.402 (6) Å indicates the existence of weak π-π stacking in the crystal structure. Classical intra- and inter-molecular O-H⋯O hydrogen bonding and weak non-classical inter-molecular C-H⋯O hydrogen bonding help to stabilize the crystal structure.

Related literature

For general background to π–π stacking, see: Deisenhofer & Michel (1989 ▶); Su & Xu (2004 ▶); Xu et al. (2007 ▶). For two related isoquinoline complexes, see: Li et al. (2009a ▶,b ▶). For a related polymeric NiII complex bridged by succinate anions, see: Liu et al. (2003 ▶).

Experimental

Crystal data

[Co(C4H4O4)(C9H7N)2(H2O)2]

M = 469.35

Monoclinic,

a = 11.258 (4) Å

b = 9.023 (5) Å

c = 11.390 (7) Å

β = 114.667 (5)°

V = 1051.4 (9) Å3

Z = 2

Mo Kα radiation

μ = 0.86 mm−1

T = 294 K

0.24 × 0.14 × 0.12 mm

Data collection

Rigaku R-AXIS RAPID IP diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.788, T max = 0.862

4907 measured reflections

1891 independent reflections

1165 reflections with I > 2σ(I)

R int = 0.040

Refinement

R[F 2 > 2σ(F 2)] = 0.033

wR(F 2) = 0.057

S = 0.82

1891 reflections

142 parameters

H-atom parameters constrained

Δρmax = 0.23 e Å−3

Δρmin = −0.23 e Å−3

Data collection: PROCESS-AUTO (Rigaku, 1998 ▶); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002 ▶); program(s) used to solve structure: SIR92 (Altomare et al., 1993 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810023895/rk2211sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810023895/rk2211Isup2.hkl

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

[Co(C4H4O4)(C9H7N)2(H2O)2]	F(000) = 486
Mr = 469.35	Dx = 1.482 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 2408 reflections
a = 11.258 (4) Å	θ = 3.5–24.6°
b = 9.023 (5) Å	µ = 0.86 mm−1
c = 11.390 (7) Å	T = 294 K
β = 114.667 (5)°	Prism, pink
V = 1051.4 (9) Å3	0.24 × 0.14 × 0.12 mm
Z = 2

Rigaku R-AXIS RAPID IP diffractometer	1891 independent reflections
Radiation source: fine-focus sealed tube	1165 reflections with I > 2σ(I)
graphite	Rint = 0.040
Detector resolution: 10.0 pixels mm-1	θmax = 25.2°, θmin = 3.3°
ω–scan	h = −13→13
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −10→8
Tmin = 0.788, Tmax = 0.862	l = −13→13
4907 measured reflections

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)] = 0.033	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.057	H-atom parameters constrained
S = 0.82	w = 1/[σ2(Fo2) + (0.0207P)2] where P = (Fo2 + 2Fc2)/3
1891 reflections	(Δ/σ)max < 0.001
142 parameters	Δρmax = 0.23 e Å−3
0 restraints	Δρmin = −0.23 e Å−3

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'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
Co	0.5000	0.5000	0.5000	0.03143 (14)
N1	0.5562 (2)	0.5432 (2)	0.34392 (16)	0.0394 (6)
O1	0.50790 (18)	0.27225 (15)	0.47973 (14)	0.0392 (4)
O2	0.31969 (17)	0.21732 (17)	0.31456 (15)	0.0434 (5)
O1W	0.29833 (13)	0.50231 (19)	0.37221 (11)	0.0369 (4)
H1A	0.2673	0.5677	0.3070	0.044*
H1B	0.2846	0.4213	0.3263	0.044*
C1	0.6531 (3)	0.4608 (3)	0.3341 (2)	0.0513 (8)
H1	0.6940	0.3889	0.3965	0.062*
C2	0.6927 (3)	0.4788 (4)	0.2376 (2)	0.0572 (8)
H2	0.7600	0.4205	0.2357	0.069*
C3	0.6326 (3)	0.5844 (3)	0.1411 (2)	0.0462 (7)
C4	0.6658 (3)	0.6069 (4)	0.0350 (3)	0.0647 (9)
H4	0.7314	0.5506	0.0274	0.078*
C5	0.6012 (4)	0.7107 (4)	−0.0549 (3)	0.0698 (10)
H5	0.6228	0.7246	−0.1246	0.084*
C6	0.5030 (4)	0.7973 (4)	−0.0451 (3)	0.0700 (10)
H6	0.4603	0.8681	−0.1080	0.084*
C7	0.4689 (3)	0.7791 (3)	0.0560 (2)	0.0583 (9)
H7	0.4034	0.8372	0.0620	0.070*
C8	0.5334 (3)	0.6720 (3)	0.1506 (2)	0.0410 (7)
C9	0.4999 (3)	0.6448 (3)	0.2554 (2)	0.0399 (6)
H9	0.4343	0.7022	0.2620	0.048*
C10	0.4249 (2)	0.1817 (2)	0.4066 (2)	0.0294 (6)
C11	0.4568 (2)	0.0192 (2)	0.43056 (17)	0.0335 (6)
H11A	0.4999	−0.0128	0.3768	0.040*
H11B	0.3758	−0.0360	0.4039	0.040*

	U11	U22	U33	U12	U13	U23
Co	0.0357 (3)	0.0151 (2)	0.0285 (2)	−0.0009 (3)	−0.00145 (17)	0.0019 (2)
N1	0.0390 (13)	0.0305 (13)	0.0367 (11)	0.0033 (10)	0.0040 (9)	0.0038 (9)
O1	0.0391 (11)	0.0153 (8)	0.0426 (10)	−0.0025 (9)	−0.0035 (8)	−0.0015 (8)
O2	0.0444 (12)	0.0209 (10)	0.0399 (9)	0.0028 (8)	−0.0073 (8)	−0.0005 (8)
O1W	0.0410 (9)	0.0205 (8)	0.0306 (7)	0.0015 (10)	−0.0034 (6)	0.0011 (8)
C1	0.0472 (19)	0.044 (2)	0.0487 (15)	0.0098 (15)	0.0061 (13)	0.0064 (13)
C2	0.0420 (17)	0.059 (2)	0.0639 (17)	0.0070 (17)	0.0159 (14)	−0.0038 (17)
C3	0.0436 (19)	0.0442 (18)	0.0443 (15)	−0.0146 (15)	0.0119 (13)	−0.0090 (14)
C4	0.061 (2)	0.073 (2)	0.0654 (19)	−0.028 (2)	0.0313 (18)	−0.0158 (19)
C5	0.086 (3)	0.070 (3)	0.056 (2)	−0.041 (2)	0.033 (2)	−0.0074 (19)
C6	0.096 (3)	0.056 (2)	0.0468 (18)	−0.020 (2)	0.0196 (19)	0.0072 (16)
C7	0.072 (2)	0.0434 (19)	0.0503 (18)	−0.0043 (17)	0.0166 (17)	0.0055 (15)
C8	0.0474 (19)	0.0300 (15)	0.0382 (14)	−0.0077 (14)	0.0104 (12)	0.0015 (13)
C9	0.0428 (17)	0.0304 (15)	0.0383 (14)	−0.0012 (13)	0.0087 (12)	0.0010 (13)
C10	0.0384 (16)	0.0185 (13)	0.0264 (11)	0.0001 (13)	0.0087 (11)	0.0025 (11)
C11	0.0413 (14)	0.0142 (13)	0.0323 (11)	0.0007 (12)	0.0030 (9)	0.0003 (11)

Co—N1i	2.157 (2)	C3—C8	1.409 (4)
Co—N1	2.157 (2)	C3—C4	1.420 (4)
Co—O1	2.0740 (18)	C4—C5	1.354 (4)
Co—O1i	2.0740 (18)	C4—H4	0.9300
Co—O1Wi	2.1249 (14)	C5—C6	1.397 (5)
Co—O1W	2.1249 (14)	C5—H5	0.9300
N1—C9	1.314 (3)	C6—C7	1.367 (4)
N1—C1	1.363 (3)	C6—H6	0.9300
O1—C10	1.259 (3)	C7—C8	1.404 (4)
O2—C10	1.253 (3)	C7—H7	0.9300
O1W—H1A	0.8975	C8—C9	1.416 (3)
O1W—H1B	0.8743	C9—H9	0.9300
C1—C2	1.357 (3)	C10—C11	1.507 (3)
C1—H1	0.9300	C11—C11ii	1.511 (4)
C2—C3	1.398 (4)	C11—H11A	0.9700
C2—H2	0.9300	C11—H11B	0.9700
O1—Co—O1i	180.0	C2—C3—C4	123.6 (3)
O1—Co—O1Wi	89.04 (7)	C8—C3—C4	118.9 (3)
O1i—Co—O1Wi	90.96 (7)	C5—C4—C3	119.6 (3)
O1—Co—O1W	90.96 (7)	C5—C4—H4	120.2
O1i—Co—O1W	89.04 (7)	C3—C4—H4	120.2
O1Wi—Co—O1W	180.0	C4—C5—C6	121.3 (3)
O1—Co—N1i	87.33 (7)	C4—C5—H5	119.4
O1i—Co—N1i	92.67 (7)	C6—C5—H5	119.4
O1Wi—Co—N1i	91.76 (7)	C7—C6—C5	120.7 (3)
O1W—Co—N1i	88.24 (7)	C7—C6—H6	119.7
O1—Co—N1	92.67 (7)	C5—C6—H6	119.7
O1i—Co—N1	87.33 (7)	C6—C7—C8	119.5 (3)
O1Wi—Co—N1	88.24 (7)	C6—C7—H7	120.3
O1W—Co—N1	91.76 (7)	C8—C7—H7	120.3
N1i—Co—N1	180.0	C7—C8—C3	120.0 (2)
C9—N1—C1	117.7 (2)	C7—C8—C9	122.1 (3)
C9—N1—Co	123.03 (19)	C3—C8—C9	117.8 (2)
C1—N1—Co	119.26 (16)	N1—C9—C8	123.7 (3)
C10—O1—Co	131.47 (16)	N1—C9—H9	118.2
Co—O1W—H1A	120.6	C8—C9—H9	118.2
Co—O1W—H1B	105.9	O2—C10—O1	124.7 (2)
H1A—O1W—H1B	98.3	O2—C10—C11	118.2 (2)
C2—C1—N1	123.1 (2)	O1—C10—C11	117.2 (2)
C2—C1—H1	118.5	C10—C11—C11ii	114.4 (2)
N1—C1—H1	118.5	C10—C11—H11A	108.7
C1—C2—C3	120.3 (3)	C11ii—C11—H11A	108.7
C1—C2—H2	119.9	C10—C11—H11B	108.7
C3—C2—H2	119.9	C11ii—C11—H11B	108.7
C2—C3—C8	117.4 (2)	H11A—C11—H11B	107.6

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1A···O2iii	0.90	1.89	2.774 (3)	169
O1W—H1B···O2	0.87	1.90	2.689 (3)	150
C5—H5···O2iv	0.93	2.56	3.487 (5)	176

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1A⋯O2i	0.90	1.89	2.774 (3)	169
O1W—H1B⋯O2	0.87	1.90	2.689 (3)	150
C5—H5⋯O2ii	0.93	2.56	3.487 (5)	176

Symmetry codes: (i) ; (ii) .