catena-Poly­[[(2,2′-bi­pyridine-κ²N,N′)cadmium(II)]-μ-5-carboxy­imidazole-4-carboxyl­ato-κ⁴N³,O⁴:N¹,O⁵]

In the title one-dimensional coordination polymer, [Cd(HIDC)(2,2′-bipy)]_n (HIDC²⁻ is the imidazole-4,5-di­carboxyl­ate dianion, C₅H₂N₂O₄, and 2,2′-bipy is 2,2′-bi­pyridine, C₁₀H₈N₂), each Cd^II atom exists in a distorted trigonal prismatic coordination geometry, involving two N and two O atoms from two bidentate HIDC²⁻ groups, and two N atoms from the 2,2′-bipy co-ligand. Adjacent Cd^II ions are bridged by HIDC²⁻ groups, giving rise to a one-dimensional chain structure. The Cd...Cd separation within the polymer is 6.707 (2) Å.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.019
• wR factor = 0.054
• Data-to-parameter ratio = 15.5

checkCIF/PLATON results

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Computing details

Data collection: RAPID-AUTO (Rigaku Corporation, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976).

catena-Poly[[(2,2'-bipyridine-κ²N,N')cadmium(II)]-µ-5-carboxyimidazole- 4-carboxylato-κ⁴N³,O⁴:N¹,O⁵]

Crystal data

[Cd(C5H2N2O4)(C10H8N2)]	F(000) = 1664
Mr = 422.68	Dx = 1.878 Mg m^−3
Orthorhombic, Pbca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2ab	Cell parameters from 25776 reflections
a = 10.776 (2) Å	θ = 3.1–27.3°
b = 13.283 (3) Å	µ = 1.49 mm^−1
c = 20.890 (4) Å	T = 293 K
V = 2990.1 (10) Å^3	Prism, colourless
Z = 8	0.37 × 0.26 × 0.18 mm

Data collection

Rigaku R-AXIS RAPID diffractometer	3410 independent reflections
Radiation source: fine-focus sealed tube	3123 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.017
Detector resolution: 10 pixels mm^-1	θmax = 27.5°, θmin = 3.1°
ω scans	h = −13→13
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −17→17
Tmin = 0.635, Tmax = 0.765	l = −27→27
27506 measured reflections

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)] = 0.019	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.054	H atoms treated by a mixture of independent and constrained refinement
S = 1.03	w = 1/[σ^2(Fo^2) + (0.0328P)^2 + 1.2915P] where P = (Fo^2 + 2Fc^2)/3
3410 reflections	(Δ/σ)max = 0.002
220 parameters	Δρmax = 0.27 e Å^−3
1 restraint	Δρmin = −0.44 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Cd1	0.653341 (11)	0.314473 (9)	0.586353 (6)	0.02961 (6)
N1	0.54328 (14)	0.43258 (11)	0.64561 (7)	0.0344 (3)
N2	0.72842 (15)	0.31923 (11)	0.69342 (7)	0.0373 (3)
N3	0.48533 (13)	0.25651 (10)	0.53209 (6)	0.0303 (3)
N4	0.32025 (13)	0.21079 (11)	0.47391 (7)	0.0310 (3)
O1	0.61786 (14)	0.14583 (11)	0.62170 (6)	0.0432 (3)
O2	0.50979 (14)	0.00778 (9)	0.59928 (6)	0.0403 (3)
O3	0.18642 (12)	0.03329 (9)	0.47590 (7)	0.0401 (3)
O4	0.32350 (13)	−0.04077 (9)	0.53914 (7)	0.0408 (3)
C1	0.45973 (19)	0.49324 (15)	0.61861 (9)	0.0420 (4)
C2	0.3894 (2)	0.56005 (17)	0.65304 (11)	0.0523 (5)
C3	0.4035 (2)	0.56235 (18)	0.71874 (11)	0.0561 (6)
C4	0.4897 (2)	0.50018 (16)	0.74701 (10)	0.0493 (5)
C5	0.56004 (17)	0.43604 (13)	0.70912 (8)	0.0345 (4)
C6	0.65815 (16)	0.36937 (14)	0.73574 (9)	0.0358 (4)
C7	0.6785 (2)	0.35963 (17)	0.80133 (9)	0.0472 (5)
C8	0.7740 (2)	0.30030 (16)	0.82298 (10)	0.0524 (5)
C9	0.8471 (2)	0.25062 (18)	0.77951 (12)	0.0525 (5)
C10	0.82062 (19)	0.26111 (17)	0.71526 (11)	0.0477 (5)
C11	0.40024 (16)	0.28417 (13)	0.48890 (8)	0.0328 (3)
C12	0.53506 (17)	0.10097 (13)	0.59159 (7)	0.0316 (3)
C13	0.45860 (15)	0.15813 (11)	0.54546 (7)	0.0265 (3)
C14	0.35671 (14)	0.13011 (12)	0.50973 (8)	0.0267 (3)
C15	0.28419 (16)	0.03574 (12)	0.50696 (8)	0.0313 (3)
H1	0.4487	0.4901	0.5745	0.050*
H2	0.3335	0.6028	0.6327	0.063*
H3	0.3553	0.6054	0.7436	0.067*
H4	0.5008	0.5011	0.7912	0.059*
H7	0.6276	0.3932	0.8303	0.057*
H8	0.7889	0.2939	0.8666	0.063*
H9	0.9130	0.2108	0.7930	0.063*
H10	0.8690	0.2262	0.6858	0.057*
H11	0.3970	0.3482	0.4710	0.039*
H16	0.3866 (17)	−0.027 (2)	0.5623 (11)	0.061*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cd1	0.02695 (8)	0.03351 (8)	0.02837 (8)	−0.00161 (4)	0.00118 (4)	−0.00343 (4)
N1	0.0356 (7)	0.0387 (7)	0.0290 (7)	0.0020 (6)	−0.0006 (6)	−0.0030 (6)
N2	0.0363 (8)	0.0401 (8)	0.0355 (7)	0.0004 (6)	−0.0065 (6)	−0.0041 (6)
N3	0.0300 (7)	0.0273 (6)	0.0335 (7)	−0.0018 (5)	−0.0028 (6)	−0.0003 (5)
N4	0.0296 (7)	0.0261 (6)	0.0373 (7)	0.0010 (5)	−0.0043 (6)	0.0010 (6)
O1	0.0499 (7)	0.0428 (7)	0.0371 (7)	−0.0062 (6)	−0.0165 (6)	0.0051 (6)
O2	0.0543 (8)	0.0331 (6)	0.0335 (6)	−0.0036 (6)	−0.0094 (6)	0.0079 (5)
O3	0.0377 (6)	0.0349 (6)	0.0477 (7)	−0.0100 (5)	−0.0091 (6)	0.0042 (6)
O4	0.0468 (7)	0.0305 (6)	0.0450 (7)	−0.0077 (5)	−0.0077 (6)	0.0083 (5)
C1	0.0454 (10)	0.0470 (10)	0.0336 (9)	0.0065 (8)	−0.0040 (8)	−0.0016 (8)
C2	0.0536 (12)	0.0522 (12)	0.0513 (12)	0.0177 (10)	−0.0092 (10)	−0.0076 (9)
C3	0.0617 (14)	0.0571 (13)	0.0496 (11)	0.0190 (11)	−0.0022 (10)	−0.0192 (10)
C4	0.0618 (13)	0.0528 (11)	0.0333 (9)	0.0090 (10)	−0.0024 (9)	−0.0131 (8)
C5	0.0392 (9)	0.0349 (8)	0.0294 (8)	−0.0022 (7)	−0.0017 (7)	−0.0053 (6)
C6	0.0400 (10)	0.0347 (8)	0.0326 (9)	−0.0057 (7)	−0.0054 (7)	−0.0044 (7)
C7	0.0606 (12)	0.0487 (11)	0.0323 (9)	0.0000 (10)	−0.0076 (9)	−0.0039 (8)
C8	0.0664 (14)	0.0505 (11)	0.0403 (10)	−0.0075 (10)	−0.0200 (10)	0.0043 (9)
C9	0.0503 (12)	0.0481 (11)	0.0592 (13)	−0.0016 (9)	−0.0228 (10)	0.0056 (10)
C10	0.0417 (10)	0.0501 (11)	0.0513 (11)	0.0039 (9)	−0.0088 (9)	−0.0044 (9)
C11	0.0334 (9)	0.0264 (7)	0.0387 (9)	−0.0011 (6)	−0.0047 (7)	0.0029 (7)
C12	0.0372 (9)	0.0343 (8)	0.0232 (7)	0.0010 (7)	−0.0004 (6)	0.0006 (6)
C13	0.0283 (7)	0.0259 (7)	0.0252 (7)	0.0003 (6)	0.0026 (6)	−0.0011 (6)
C14	0.0278 (8)	0.0262 (7)	0.0262 (7)	−0.0001 (6)	0.0013 (6)	−0.0008 (6)
C15	0.0348 (9)	0.0290 (7)	0.0300 (7)	−0.0029 (6)	0.0033 (7)	−0.0005 (6)

Geometric parameters (Å, º)

Cd1—N1	2.3239 (15)	C1—C2	1.371 (3)
Cd1—N2	2.3793 (16)	C1—H1	0.9300
Cd1—N3	2.2706 (14)	C2—C3	1.381 (3)
Cd1—N4^i	2.2209 (15)	C2—H2	0.9300
Cd1—O1	2.3895 (14)	C3—C4	1.376 (3)
Cd1—O3^i	2.4306 (13)	C3—H3	0.9300
O1—C12	1.244 (2)	C4—C5	1.388 (3)
O2—C12	1.278 (2)	C4—H4	0.9300
O3—C15	1.238 (2)	C5—C6	1.487 (3)
O4—C15	1.290 (2)	C6—C7	1.394 (3)
N1—C1	1.334 (2)	C7—C8	1.373 (3)
N1—C5	1.340 (2)	C7—H7	0.9300
N2—C6	1.341 (2)	C8—C9	1.371 (4)
N2—C10	1.338 (3)	C8—H8	0.9300
N3—C11	1.338 (2)	C9—C10	1.379 (3)
N3—C13	1.367 (2)	C9—H9	0.9300
N4—Cd1^ii	2.2209 (15)	C10—H10	0.9300
N4—C11	1.338 (2)	C11—H11	0.9300
N4—C14	1.365 (2)	C12—C13	1.478 (2)
O3—Cd1^ii	2.4306 (13)	C13—C14	1.379 (2)
O4—H16	0.85 (3)	C14—C15	1.478 (2)
N1—Cd1—N2	69.81 (5)	C1—N1—C5	119.29 (15)
N1—Cd1—O1	112.74 (5)	C2—C1—H1	118.6
N1—Cd1—O3^i	78.36 (5)	C2—C3—H3	120.4
N2—Cd1—O1	77.81 (5)	C3—C2—H2	120.8
N2—Cd1—O3^i	115.53 (5)	C3—C4—C5	119.49 (19)
N3—Cd1—N1	95.04 (5)	C3—C4—H4	120.3
N3—Cd1—N2	138.54 (5)	C4—C3—C2	119.17 (19)
N3—Cd1—O1	73.07 (5)	C4—C3—H3	120.4
N3—Cd1—O3^i	97.58 (5)	C4—C5—C6	122.71 (16)
N4^i—Cd1—N1	144.81 (5)	C5—N1—Cd1	118.81 (12)
N4^i—Cd1—N2	105.16 (6)	C5—C4—H4	120.3
N4^i—Cd1—N3	108.15 (6)	C6—N2—Cd1	116.17 (12)
N4^i—Cd1—O1	99.39 (5)	C6—C7—H7	120.2
N4^i—Cd1—O3^i	72.76 (5)	C7—C6—C5	122.33 (17)
O1—Cd1—O3^i	165.65 (5)	C7—C8—H8	120.4
N1—C1—C2	122.85 (18)	C8—C7—C6	119.7 (2)
N1—C1—H1	118.6	C8—C7—H7	120.2
N1—C5—C4	120.81 (17)	C8—C9—C10	118.5 (2)
N1—C5—C6	116.47 (15)	C8—C9—H9	120.8
N2—C6—C5	116.78 (16)	C9—C8—C7	119.3 (2)
N2—C6—C7	120.89 (18)	C9—C8—H8	120.4
N2—C10—C9	122.9 (2)	C9—C10—H10	118.5
N2—C10—H10	118.5	C10—N2—Cd1	123.89 (13)
N3—C11—H11	123.2	C10—N2—C6	118.74 (17)
N3—C13—C14	108.37 (14)	C10—C9—H9	120.8
N3—C13—C12	120.46 (14)	C11—N3—Cd1	142.19 (11)
N4—C11—N3	113.53 (15)	C11—N3—C13	104.83 (13)
N4—C11—H11	123.2	C11—N4—Cd1^ii	139.84 (12)
N4—C14—C13	108.30 (14)	C11—N4—C14	104.96 (14)
N4—C14—C15	119.49 (14)	C12—O1—Cd1	114.06 (11)
O1—C12—O2	123.60 (16)	C13—N3—Cd1	112.96 (10)
O1—C12—C13	118.92 (16)	C13—C14—C15	132.15 (15)
O2—C12—C13	117.45 (15)	C14—N4—Cd1^ii	115.17 (11)
O3—C15—O4	122.13 (15)	C14—C13—C12	131.16 (15)
O3—C15—C14	119.52 (15)	C15—O3—Cd1^ii	112.55 (10)
O4—C15—C14	118.30 (15)	C15—O4—H16	112.5 (18)
C1—N1—Cd1	121.81 (12)
N1—Cd1—N2—C6	12.50 (12)	O3^i—Cd1—N3—C13	165.62 (10)
N1—Cd1—N2—C10	179.74 (17)	O3^i—Cd1—O1—C12	−44.4 (3)
N1—Cd1—N3—C11	66.31 (19)	Cd1—N1—C1—C2	176.73 (17)
N1—Cd1—N3—C13	−115.49 (11)	Cd1—N1—C5—C4	−175.23 (15)
N1—Cd1—O1—C12	94.71 (13)	Cd1—N1—C5—C6	5.7 (2)
N1—C1—C2—C3	−1.9 (4)	Cd1—N2—C6—C5	−14.4 (2)
N1—C5—C6—N2	6.1 (2)	Cd1—N2—C6—C7	166.47 (15)
N1—C5—C6—C7	−174.77 (18)	Cd1—N2—C10—C9	−167.16 (16)
N2—Cd1—N1—C1	174.01 (16)	Cd1—N3—C11—N4	178.73 (13)
N2—Cd1—N1—C5	−9.41 (13)	Cd1—N3—C13—C12	0.58 (18)
N2—Cd1—N3—C11	131.25 (18)	Cd1—N3—C13—C14	−179.27 (10)
N2—Cd1—N3—C13	−50.54 (14)	Cd1^ii—N4—C11—N3	177.56 (13)
N2—Cd1—O1—C12	156.44 (14)	Cd1^ii—N4—C14—C13	−178.45 (10)
N2—C6—C7—C8	1.9 (3)	Cd1^ii—N4—C14—C15	−1.04 (19)
N3—Cd1—N1—C1	−45.72 (15)	Cd1—O1—C12—O2	173.53 (13)
N3—Cd1—N1—C5	130.87 (13)	Cd1—O1—C12—C13	−8.2 (2)
N3—Cd1—N2—C6	−61.54 (15)	Cd1^ii—O3—C15—O4	−174.49 (13)
N3—Cd1—N2—C10	105.69 (17)	Cd1^ii—O3—C15—C14	7.93 (19)
N3—Cd1—O1—C12	6.31 (12)	C1—C2—C3—C4	2.0 (4)
N3—C13—C14—N4	0.26 (18)	C1—N1—C5—C4	1.4 (3)
N3—C13—C14—C15	−176.70 (16)	C1—N1—C5—C6	−177.62 (16)
N4^i—Cd1—N1—C1	86.19 (17)	C2—C3—C4—C5	−0.5 (4)
N4^i—Cd1—N1—C5	−97.22 (15)	C3—C4—C5—N1	−1.3 (3)
N4^i—Cd1—N2—C6	155.88 (12)	C3—C4—C5—C6	177.7 (2)
N4^i—Cd1—N2—C10	−36.89 (17)	C4—C5—C6—N2	−172.97 (19)
N4^i—Cd1—N3—C11	−86.9 (2)	C4—C5—C6—C7	6.2 (3)
N4^i—Cd1—N3—C13	91.34 (11)	C5—N1—C1—C2	0.2 (3)
N4^i—Cd1—O1—C12	−99.94 (13)	C5—C6—C7—C8	−177.17 (19)
N4—C14—C15—O3	−5.2 (2)	C6—N2—C10—C9	−0.2 (3)
N4—C14—C15—O4	177.10 (15)	C6—C7—C8—C9	−0.7 (3)
O1—Cd1—N1—C1	−119.46 (14)	C7—C8—C9—C10	−0.9 (3)
O1—Cd1—N1—C5	57.13 (14)	C8—C9—C10—N2	1.4 (3)
O1—Cd1—N2—C6	−107.56 (13)	C10—N2—C6—C5	177.70 (17)
O1—Cd1—N2—C10	59.68 (16)	C10—N2—C6—C7	−1.5 (3)
O1—Cd1—N3—C11	178.6 (2)	C11—N3—C13—C12	179.44 (15)
O1—Cd1—N3—C13	−3.23 (10)	C11—N3—C13—C14	−0.41 (17)
O1—C12—C13—N3	5.5 (2)	C11—N4—C14—C13	0.01 (18)
O1—C12—C13—C14	−174.65 (17)	C11—N4—C14—C15	177.42 (15)
O2—C12—C13—N3	−176.08 (15)	C12—C13—C14—N4	−179.57 (16)
O2—C12—C13—C14	3.7 (3)	C12—C13—C14—C15	3.5 (3)
O3^i—Cd1—N1—C1	51.00 (15)	C13—C14—C15—O3	171.46 (17)
O3^i—Cd1—N1—C5	−132.41 (14)	C13—C14—C15—O4	−6.2 (3)
O3^i—Cd1—N2—C6	78.05 (14)	C13—N3—C11—N4	0.4 (2)
O3^i—Cd1—N2—C10	−114.71 (16)	C14—N4—C11—N3	−0.3 (2)
O3^i—Cd1—N3—C11	−12.6 (2)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O4—H16···O2	0.85 (3)	1.60 (3)	2.454 (3)	174 (3)