catena-Poly[[bis­(imidazole-κN)copper(II)]-μ-succinato-κ²O:O′]

In the title polymeric complex, [Cu(C₄H₄O₄)(C₃H₄N₂)₂]_n, the Cu^II ion assumes a distorted CuO₂N₂ square-planar coordination geometry formed by two succinate dianions and two imidazole mol­ecules. The Cu^II complex units are bridged by the succinate dianions, forming polymeric chains.

Key indicators

• Single-crystal X-ray study
• T = 294 K
• Mean [sigma](C-C)= 0.004 Å
• R factor = 0.026
• wR factor = 0.078
• Data-to-parameter ratio = 12.5

checkCIF/PLATON results

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Computing details

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

catena-Poly[[bis(imidazole-κN)copper(II)]-µ-succinato-κ²O:O']

Crystal data

[Cu(C4H4O4)(C3H4N2)2]	F(000) = 644
Mr = 315.78	Dx = 1.716 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 4001 reflections
a = 9.6038 (15) Å	θ = 2.6–25.0°
b = 10.4719 (17) Å	µ = 1.80 mm^−1
c = 12.790 (2) Å	T = 294 K
β = 108.154 (2)°	Block, blue
V = 1222.3 (3) Å^3	0.26 × 0.22 × 0.20 mm
Z = 4

Data collection

Siemens SMART CCD area-detector diffractometer	2155 independent reflections
Radiation source: fine-focus sealed tube	1859 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.051
φ and ω scans	θmax = 25.0°, θmin = 2.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −11→8
Tmin = 0.635, Tmax = 0.695	k = −10→12
6063 measured reflections	l = −14→15

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.026	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.078	H-atom parameters constrained
S = 1.10	w = 1/[σ^2(Fo^2) + (0.0378P)^2 + 0.3267P] where P = (Fo^2 + 2Fc^2)/3
2155 reflections	(Δ/σ)max = 0.001
172 parameters	Δρmax = 0.26 e Å^−3
0 restraints	Δρmin = −0.40 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Cu1	0.55291 (3)	0.59745 (3)	0.12974 (2)	0.02422 (13)
O1	0.64999 (17)	0.48477 (16)	0.04768 (13)	0.0283 (4)
O2	0.8701 (2)	0.51986 (18)	0.16808 (14)	0.0401 (5)
O3	1.03738 (17)	0.20538 (16)	0.27797 (13)	0.0298 (4)
O4	0.81240 (18)	0.18046 (16)	0.16343 (14)	0.0334 (4)
N1	0.4963 (2)	0.4463 (2)	0.20065 (15)	0.0250 (4)
N2	0.4966 (2)	0.2554 (2)	0.27081 (17)	0.0347 (5)
H2	0.5227	0.1784	0.2911	0.042*
N3	0.6115 (2)	0.7564 (2)	0.06892 (16)	0.0270 (5)
N4	0.6815 (2)	0.9552 (2)	0.06549 (17)	0.0354 (5)
H4	0.6929	1.0354	0.0802	0.043*
C1	0.7879 (3)	0.4664 (2)	0.08501 (18)	0.0254 (5)
C2	0.8511 (3)	0.3714 (2)	0.02246 (19)	0.0296 (6)
H2A	0.8825	0.4166	−0.0325	0.036*
H2B	0.7754	0.3113	−0.0155	0.036*
H3A	1.0196	0.2398	0.0547	0.036*
H3B	1.0588	0.3574	0.1345	0.036*
C3	0.9815 (3)	0.2981 (3)	0.0988 (2)	0.0310 (6)
C4	0.9398 (3)	0.2224 (2)	0.1853 (2)	0.0259 (5)
C5	0.5611 (3)	0.3334 (2)	0.21841 (19)	0.0297 (6)
H5	0.6419	0.3114	0.1968	0.036*
C6	0.3805 (3)	0.3200 (3)	0.2868 (2)	0.0388 (7)
H6	0.3141	0.2889	0.3202	0.047*
C7	0.3823 (3)	0.4377 (3)	0.2441 (2)	0.0325 (6)
H7	0.3166	0.5030	0.2441	0.039*
C8	0.6089 (3)	0.8734 (2)	0.1082 (2)	0.0325 (6)
H8	0.5620	0.8952	0.1593	0.039*
C9	0.7347 (3)	0.8899 (3)	−0.0056 (2)	0.0398 (7)
H9	0.7899	0.9229	−0.0475	0.048*
C10	0.6914 (3)	0.7672 (3)	−0.0032 (2)	0.0329 (6)
H10	0.7124	0.7005	−0.0440	0.040*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.02504 (19)	0.02027 (19)	0.03010 (18)	0.00085 (11)	0.01258 (13)	−0.00106 (11)
O1	0.0274 (9)	0.0267 (9)	0.0327 (9)	0.0018 (7)	0.0121 (7)	−0.0014 (7)
O2	0.0440 (11)	0.0307 (11)	0.0377 (10)	−0.0006 (9)	0.0010 (8)	−0.0083 (8)
O3	0.0289 (9)	0.0268 (10)	0.0356 (9)	0.0009 (8)	0.0127 (8)	0.0070 (8)
O4	0.0280 (9)	0.0271 (10)	0.0476 (10)	−0.0037 (8)	0.0152 (8)	−0.0004 (8)
N1	0.0245 (10)	0.0254 (11)	0.0263 (10)	−0.0005 (9)	0.0097 (8)	−0.0008 (9)
N2	0.0389 (12)	0.0256 (12)	0.0362 (11)	0.0014 (10)	0.0065 (10)	0.0097 (9)
N3	0.0279 (11)	0.0248 (11)	0.0278 (10)	0.0000 (9)	0.0079 (8)	−0.0009 (8)
N4	0.0408 (13)	0.0198 (11)	0.0413 (12)	−0.0028 (10)	0.0064 (10)	0.0011 (10)
C1	0.0302 (12)	0.0204 (13)	0.0272 (12)	0.0001 (10)	0.0113 (10)	0.0044 (10)
C2	0.0316 (13)	0.0324 (14)	0.0284 (12)	0.0029 (11)	0.0144 (10)	0.0011 (11)
C3	0.0276 (13)	0.0342 (15)	0.0369 (13)	0.0046 (11)	0.0184 (11)	0.0067 (11)
C4	0.0289 (12)	0.0154 (12)	0.0381 (13)	0.0020 (10)	0.0174 (11)	−0.0025 (10)
C5	0.0240 (12)	0.0296 (14)	0.0338 (13)	0.0007 (11)	0.0066 (10)	−0.0016 (11)
C6	0.0402 (15)	0.0414 (18)	0.0389 (14)	−0.0039 (13)	0.0181 (12)	0.0065 (13)
C7	0.0342 (14)	0.0317 (14)	0.0353 (13)	0.0026 (12)	0.0162 (11)	0.0009 (12)
C8	0.0370 (14)	0.0266 (14)	0.0335 (13)	0.0034 (12)	0.0103 (11)	0.0003 (11)
C9	0.0408 (16)	0.0377 (17)	0.0441 (16)	−0.0068 (12)	0.0179 (13)	0.0029 (12)
C10	0.0374 (14)	0.0302 (15)	0.0336 (13)	−0.0044 (11)	0.0146 (11)	−0.0034 (11)

Geometric parameters (Å, º)

Cu1—N1	1.983 (2)	N4—H4	0.8600
Cu1—N3	1.991 (2)	C1—C2	1.516 (3)
Cu1—O1	1.9933 (16)	C2—C3	1.533 (3)
Cu1—O3^i	2.0150 (16)	C2—H2A	0.9700
O1—C1	1.275 (3)	C2—H2B	0.9700
O2—C1	1.242 (3)	C3—C4	1.513 (3)
O3—C4	1.274 (3)	C3—H3A	0.9756
O4—C4	1.247 (3)	C3—H3B	0.9664
N1—C5	1.322 (3)	C5—H5	0.9300
N1—C7	1.377 (3)	C6—C7	1.351 (4)
N2—C5	1.326 (3)	C6—H6	0.9300
N2—C6	1.372 (3)	C7—H7	0.9300
N2—H2	0.8600	C8—H8	0.9300
N3—C8	1.327 (3)	C9—C10	1.354 (4)
N3—C10	1.376 (3)	C9—H9	0.9300
N4—C8	1.325 (3)	C10—H10	0.9300
N4—C9	1.358 (4)
N1—Cu1—N3	175.72 (8)	H2A—C2—H2B	107.9
N1—Cu1—O1	90.47 (7)	C4—C3—C2	112.23 (19)
N3—Cu1—O1	93.07 (7)	C4—C3—H3A	109.1
N1—Cu1—O3^i	87.16 (7)	C2—C3—H3A	108.9
N3—Cu1—O3^i	89.17 (7)	C4—C3—H3B	109.3
O1—Cu1—O3^i	176.16 (7)	C2—C3—H3B	109.5
C1—O1—Cu1	119.62 (15)	H3A—C3—H3B	107.7
C4—O3—Cu1^ii	107.31 (14)	O4—C4—O3	123.0 (2)
C5—N1—C7	105.3 (2)	O4—C4—C3	119.0 (2)
C5—N1—Cu1	127.66 (16)	O3—C4—C3	117.9 (2)
C7—N1—Cu1	127.06 (18)	N1—C5—N2	111.6 (2)
C5—N2—C6	107.5 (2)	N1—C5—H5	124.2
C5—N2—H2	126.3	N2—C5—H5	124.2
C6—N2—H2	126.3	C7—C6—N2	106.1 (2)
C8—N3—C10	105.0 (2)	C7—C6—H6	127.0
C8—N3—Cu1	125.65 (17)	N2—C6—H6	127.0
C10—N3—Cu1	127.95 (18)	C6—C7—N1	109.5 (2)
C8—N4—C9	107.9 (2)	C6—C7—H7	125.2
C8—N4—H4	126.1	N1—C7—H7	125.2
C9—N4—H4	126.1	N4—C8—N3	111.5 (2)
O2—C1—O1	124.1 (2)	N4—C8—H8	124.3
O2—C1—C2	119.7 (2)	N3—C8—H8	124.3
O1—C1—C2	116.2 (2)	C10—C9—N4	106.3 (2)
C1—C2—C3	111.99 (19)	C10—C9—H9	126.9
C1—C2—H2A	109.2	N4—C9—H9	126.9
C3—C2—H2A	109.2	C9—C10—N3	109.4 (2)
C1—C2—H2B	109.2	C9—C10—H10	125.3
C3—C2—H2B	109.2	N3—C10—H10	125.3
N1—Cu1—O1—C1	−96.92 (17)	C2—C3—C4—O4	30.1 (3)
N3—Cu1—O1—C1	80.67 (17)	C2—C3—C4—O3	−149.3 (2)
O1—Cu1—N1—C5	25.23 (19)	C7—N1—C5—N2	−0.6 (3)
O1—Cu1—N1—C7	−156.27 (19)	Cu1—N1—C5—N2	178.13 (15)
O3^i—Cu1—N1—C7	26.75 (19)	C6—N2—C5—N1	1.2 (3)
O1—Cu1—N3—C8	−164.4 (2)	C5—N2—C6—C7	−1.2 (3)
O3^i—Cu1—N3—C8	12.5 (2)	N2—C6—C7—N1	0.9 (3)
O1—Cu1—N3—C10	−0.2 (2)	C5—N1—C7—C6	−0.2 (3)
O3^i—Cu1—N3—C10	176.7 (2)	Cu1—N1—C7—C6	−178.95 (17)
Cu1—O1—C1—O2	−3.9 (3)	C9—N4—C8—N3	0.1 (3)
Cu1—O1—C1—C2	175.41 (15)	C10—N3—C8—N4	0.0 (3)
O2—C1—C2—C3	32.5 (3)	Cu1—N3—C8—N4	167.08 (16)
O1—C1—C2—C3	−146.8 (2)	C8—N4—C9—C10	−0.1 (3)
C1—C2—C3—C4	60.3 (3)	N4—C9—C10—N3	0.1 (3)
Cu1^ii—O3—C4—O4	2.3 (3)	C8—N3—C10—C9	0.0 (3)
Cu1^ii—O3—C4—C3	−178.28 (16)	Cu1—N3—C10—C9	−166.75 (18)

Symmetry codes: (i) −x+3/2, y+1/2, −z+1/2; (ii) −x+3/2, y−1/2, −z+1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2···O2^ii	0.86	1.94	2.777 (3)	165
N4—H4···O4^iii	0.86	2.00	2.781 (3)	151

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