
Acta Cryst. (2011). E67, m209 [ doi:10.1107/S1600536811001280 ]
2O1,O1']cadmium(II)]-
-4,4'-bipyridine-
2N:N']The 4,4'-bipyridine heterocycle in the polymeric title compound, [Cd(C16H13O3)2(C10H8N2)(H2O)]n, links adjacent Cd(II) ions into a chain running along the c axis. The Cd atom, which lies on a twofold rotation axis, is chelated by the carboxylate unit and exists in a seven-coordinate pentagonal-bipyramidal geometry. The apical sites are occupied by N atoms. The water molecule also lies on the twofold rotation axis. The methyl substituent of the propanoate group is disordered over two positions in a 1:1 ratio. O-H
O hydrogen bonding between water molecules and adjacent carboxylate O atoms is observed.
Cadmium nitrate (1 mmol) and 4,4'-bipyridine (1 mmol) were dissolved in ethanol (50 ml); the solution was added to an aqueous solution (50 ml) of 2-(3-benzoylphenyl)propanoic acid (2 mmol). The pH was adjusted to 7 by the addition of aqueous sodium hydroxide. The solution was filtered and then set aside for the growth of crystal.
The methyl substitutent in the carboxylate is disordered over two positions; as the occupancy refined to nearly 50%, the occupancy was then fixed as 50:50. The pair of Cmethine–Cmethyl distances were restained to within 0.01 Å of each other.
All hydrogen atoms were generated geometrically (C–H 0.93 to 0.98, O–H 0.84; U 1.2 to 1.5 Ueq of the arrier atom).
Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO (Rigaku, 1998); data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).
| [Cd(C16H13O3)2(C10H8N2)(H2O)] | F(000) = 1624 |
| Mr = 793.13 | Dx = 1.447 Mg m−3 |
| Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
| Hall symbol: -C 2yc | Cell parameters from 24003 reflections |
| a = 28.3242 (5) Å | θ = 3.2–27.4° |
| b = 6.2561 (2) Å | µ = 0.65 mm−1 |
| c = 23.6171 (4) Å | T = 293 K |
| β = 119.539 (1)° | Prism, colorless |
| V = 3640.97 (15) Å3 | 0.21 × 0.17 × 0.15 mm |
| Z = 4 |
| Rigaku R-AXIS RAPID diffractometer | 4128 independent reflections |
| Radiation source: fine-focus sealed tube | 3904 reflections with I > 2σ(I) |
| graphite | Rint = 0.023 |
| Detector resolution: 10.000 pixels mm-1 | θmax = 27.4°, θmin = 3.2° |
| ω scans | h = −36→33 |
| Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | k = −8→8 |
| Tmin = 0.875, Tmax = 0.908 | l = −29→30 |
| 25489 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)] = 0.032 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.083 | H-atom parameters constrained |
| S = 1.10 | w = 1/[σ2(Fo2) + (0.0418P)2 + 4.0713P] where P = (Fo2 + 2Fc2)/3 |
| 4128 reflections | (Δ/σ)max = 0.001 |
| 246 parameters | Δρmax = 0.86 e Å−3 |
| 1 restraint | Δρmin = −0.32 e Å−3 |
| [Cd(C16H13O3)2(C10H8N2)(H2O)] | V = 3640.97 (15) Å3 |
| Mr = 793.13 | Z = 4 |
| Monoclinic, C2/c | Mo Kα radiation |
| a = 28.3242 (5) Å | µ = 0.65 mm−1 |
| b = 6.2561 (2) Å | T = 293 K |
| c = 23.6171 (4) Å | 0.21 × 0.17 × 0.15 mm |
| β = 119.539 (1)° |
| Rigaku R-AXIS RAPID diffractometer | 4128 independent reflections |
| Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | 3904 reflections with I > 2σ(I) |
| Tmin = 0.875, Tmax = 0.908 | Rint = 0.023 |
| 25489 measured reflections | θmax = 27.4° |
| R[F2 > 2σ(F2)] = 0.032 | H-atom parameters constrained |
| wR(F2) = 0.083 | Δρmax = 0.86 e Å−3 |
| S = 1.10 | Δρmin = −0.32 e Å−3 |
| 4128 reflections | Absolute structure: ? |
| 246 parameters | Flack parameter: ? |
| 1 restraint | Rogers parameter: ? |
| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Cd1 | 0.5000 | 0.57510 (3) | 0.7500 | 0.03727 (8) | |
| O1 | 0.40639 (7) | 0.6179 (3) | 0.67563 (9) | 0.0607 (5) | |
| O2 | 0.43201 (9) | 0.2876 (3) | 0.70014 (11) | 0.0704 (5) | |
| O3 | 0.40988 (11) | 0.0777 (4) | 0.45591 (12) | 0.0850 (7) | |
| O1W | 0.5000 | 0.9428 (4) | 0.7500 | 0.0785 (10) | |
| H1 | 0.4679 | 0.9876 | 0.7303 | 0.118* | |
| N1 | 0.50515 (8) | 0.5506 (3) | 0.65299 (9) | 0.0442 (4) | |
| C1 | 0.39770 (10) | 0.4249 (5) | 0.66638 (11) | 0.0532 (6) | |
| C2 | 0.34256 (14) | 0.3558 (9) | 0.60990 (15) | 0.1154 (18) | |
| H2 | 0.3500 | 0.2034 | 0.6086 | 0.138* | 0.50 |
| H2' | 0.3186 | 0.4612 | 0.6136 | 0.138* | 0.50 |
| C3 | 0.3003 (2) | 0.3399 (14) | 0.6217 (3) | 0.0763 (17) | 0.50 |
| H3A | 0.3135 | 0.2957 | 0.6659 | 0.114* | 0.50 |
| H3B | 0.2747 | 0.2366 | 0.5927 | 0.114* | 0.50 |
| H3C | 0.2828 | 0.4764 | 0.6147 | 0.114* | 0.50 |
| C3' | 0.3174 (3) | 0.1758 (11) | 0.6087 (3) | 0.0765 (18) | 0.50 |
| H3'1 | 0.3217 | 0.1494 | 0.6511 | 0.115* | 0.50 |
| H3'2 | 0.3328 | 0.0595 | 0.5967 | 0.115* | 0.50 |
| H3'3 | 0.2795 | 0.1883 | 0.5775 | 0.115* | 0.50 |
| C4 | 0.33928 (11) | 0.4258 (6) | 0.54630 (13) | 0.0717 (10) | |
| C5 | 0.35646 (10) | 0.2915 (5) | 0.51355 (11) | 0.0600 (7) | |
| H5 | 0.3699 | 0.1568 | 0.5304 | 0.072* | |
| C6 | 0.35392 (10) | 0.3555 (4) | 0.45536 (11) | 0.0512 (5) | |
| C7 | 0.33546 (11) | 0.5580 (4) | 0.43111 (13) | 0.0561 (6) | |
| H7 | 0.3340 | 0.6025 | 0.3927 | 0.067* | |
| C8 | 0.31913 (12) | 0.6943 (6) | 0.46458 (15) | 0.0712 (8) | |
| H8 | 0.3070 | 0.8312 | 0.4488 | 0.085* | |
| C9 | 0.32088 (12) | 0.6274 (7) | 0.52109 (16) | 0.0799 (10) | |
| H9 | 0.3094 | 0.7198 | 0.5428 | 0.096* | |
| C10 | 0.37381 (11) | 0.2037 (4) | 0.42323 (12) | 0.0561 (6) | |
| C11 | 0.34975 (11) | 0.2039 (4) | 0.35106 (12) | 0.0523 (5) | |
| C12 | 0.29677 (12) | 0.2666 (5) | 0.30938 (14) | 0.0625 (7) | |
| H12 | 0.2751 | 0.3145 | 0.3262 | 0.075* | |
| C13 | 0.27593 (15) | 0.2578 (6) | 0.24244 (15) | 0.0805 (9) | |
| H13 | 0.2404 | 0.3000 | 0.2144 | 0.097* | |
| C14 | 0.30791 (18) | 0.1868 (6) | 0.21779 (16) | 0.0863 (11) | |
| H14 | 0.2938 | 0.1803 | 0.1730 | 0.104* | |
| C15 | 0.36051 (17) | 0.1253 (6) | 0.25842 (18) | 0.0837 (10) | |
| H15 | 0.3821 | 0.0796 | 0.2412 | 0.100* | |
| C16 | 0.38120 (13) | 0.1315 (5) | 0.32456 (15) | 0.0671 (7) | |
| H16 | 0.4166 | 0.0868 | 0.3520 | 0.080* | |
| C17 | 0.47859 (10) | 0.6901 (4) | 0.60522 (10) | 0.0496 (5) | |
| H17 | 0.4608 | 0.8029 | 0.6125 | 0.060* | |
| C18 | 0.47596 (10) | 0.6764 (4) | 0.54526 (10) | 0.0492 (5) | |
| H18 | 0.4571 | 0.7794 | 0.5136 | 0.059* | |
| C19 | 0.50120 (9) | 0.5111 (4) | 0.53218 (9) | 0.0419 (4) | |
| C20 | 0.52919 (13) | 0.3651 (5) | 0.58225 (12) | 0.0653 (8) | |
| H20 | 0.5471 | 0.2503 | 0.5762 | 0.078* | |
| C21 | 0.53023 (13) | 0.3917 (5) | 0.64114 (12) | 0.0634 (8) | |
| H21 | 0.5495 | 0.2932 | 0.6741 | 0.076* |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Cd1 | 0.04538 (13) | 0.04118 (13) | 0.02536 (11) | 0.000 | 0.01752 (9) | 0.000 |
| O1 | 0.0547 (10) | 0.0751 (14) | 0.0467 (10) | 0.0085 (9) | 0.0207 (8) | −0.0110 (9) |
| O2 | 0.0836 (14) | 0.0608 (13) | 0.0684 (12) | −0.0055 (11) | 0.0386 (11) | −0.0031 (10) |
| O3 | 0.1018 (17) | 0.0817 (16) | 0.0668 (14) | 0.0390 (13) | 0.0380 (13) | 0.0248 (11) |
| O1W | 0.0694 (18) | 0.0446 (16) | 0.093 (2) | 0.000 | 0.0182 (18) | 0.000 |
| N1 | 0.0528 (10) | 0.0534 (12) | 0.0303 (8) | 0.0050 (8) | 0.0236 (8) | 0.0042 (7) |
| C1 | 0.0472 (12) | 0.082 (2) | 0.0352 (11) | −0.0121 (12) | 0.0238 (10) | −0.0136 (11) |
| C2 | 0.077 (2) | 0.227 (5) | 0.0424 (15) | −0.081 (3) | 0.0299 (15) | −0.035 (2) |
| C3 | 0.046 (3) | 0.108 (5) | 0.070 (4) | −0.010 (3) | 0.025 (3) | −0.004 (4) |
| C3' | 0.087 (4) | 0.084 (5) | 0.058 (3) | −0.036 (4) | 0.035 (3) | −0.007 (3) |
| C4 | 0.0467 (13) | 0.121 (3) | 0.0383 (13) | −0.0263 (16) | 0.0142 (11) | −0.0198 (15) |
| C5 | 0.0533 (13) | 0.0784 (19) | 0.0374 (11) | −0.0092 (12) | 0.0139 (10) | 0.0032 (12) |
| C6 | 0.0487 (12) | 0.0573 (14) | 0.0383 (11) | −0.0031 (11) | 0.0144 (9) | 0.0004 (10) |
| C7 | 0.0565 (14) | 0.0568 (16) | 0.0402 (12) | −0.0005 (11) | 0.0124 (10) | −0.0020 (10) |
| C8 | 0.0612 (15) | 0.069 (2) | 0.0603 (17) | 0.0041 (14) | 0.0122 (13) | −0.0176 (14) |
| C9 | 0.0555 (16) | 0.114 (3) | 0.0595 (18) | −0.0091 (17) | 0.0202 (13) | −0.0391 (19) |
| C10 | 0.0635 (14) | 0.0530 (15) | 0.0495 (13) | 0.0027 (12) | 0.0260 (11) | 0.0097 (11) |
| C11 | 0.0624 (14) | 0.0463 (14) | 0.0490 (13) | −0.0069 (11) | 0.0282 (11) | 0.0004 (10) |
| C12 | 0.0649 (15) | 0.0590 (17) | 0.0550 (14) | −0.0027 (12) | 0.0228 (12) | −0.0084 (12) |
| C13 | 0.089 (2) | 0.069 (2) | 0.0538 (16) | −0.0030 (17) | 0.0120 (15) | −0.0080 (14) |
| C14 | 0.124 (3) | 0.082 (2) | 0.0515 (16) | −0.014 (2) | 0.0419 (19) | −0.0025 (16) |
| C15 | 0.107 (3) | 0.093 (3) | 0.076 (2) | −0.019 (2) | 0.064 (2) | −0.0076 (19) |
| C16 | 0.0711 (17) | 0.0711 (19) | 0.0688 (18) | −0.0083 (14) | 0.0420 (15) | −0.0003 (14) |
| C17 | 0.0615 (13) | 0.0566 (15) | 0.0361 (11) | 0.0146 (11) | 0.0282 (10) | 0.0063 (10) |
| C18 | 0.0603 (13) | 0.0560 (14) | 0.0334 (10) | 0.0153 (11) | 0.0247 (10) | 0.0113 (9) |
| C19 | 0.0490 (11) | 0.0509 (12) | 0.0291 (10) | 0.0035 (9) | 0.0217 (8) | 0.0042 (9) |
| C20 | 0.101 (2) | 0.0636 (17) | 0.0439 (13) | 0.0355 (16) | 0.0457 (14) | 0.0172 (12) |
| C21 | 0.096 (2) | 0.0645 (17) | 0.0384 (12) | 0.0317 (15) | 0.0397 (13) | 0.0189 (11) |
| Cd1—O1W | 2.301 (3) | C6—C7 | 1.382 (4) |
| Cd1—O1i | 2.3653 (18) | C6—C10 | 1.489 (4) |
| Cd1—O1 | 2.3653 (18) | C7—C8 | 1.388 (4) |
| Cd1—N1 | 2.3713 (17) | C7—H7 | 0.9300 |
| Cd1—N1i | 2.3713 (17) | C8—C9 | 1.376 (5) |
| Cd1—O2 | 2.469 (2) | C8—H8 | 0.9300 |
| Cd1—O2i | 2.469 (2) | C9—H9 | 0.9300 |
| O1—C1 | 1.230 (3) | C10—C11 | 1.491 (3) |
| O2—C1 | 1.247 (4) | C11—C12 | 1.385 (4) |
| O3—C10 | 1.218 (3) | C11—C16 | 1.393 (4) |
| O1W—H1 | 0.8400 | C12—C13 | 1.390 (4) |
| N1—C17 | 1.328 (3) | C12—H12 | 0.9300 |
| N1—C21 | 1.329 (3) | C13—C14 | 1.370 (5) |
| C1—C2 | 1.534 (4) | C13—H13 | 0.9300 |
| C2—C3' | 1.325 (6) | C14—C15 | 1.371 (6) |
| C2—C3 | 1.360 (6) | C14—H14 | 0.9300 |
| C2—C4 | 1.523 (4) | C15—C16 | 1.372 (4) |
| C2—H2 | 0.9800 | C15—H15 | 0.9300 |
| C2—H2' | 0.9800 | C16—H16 | 0.9300 |
| C3—H3A | 0.9600 | C17—C18 | 1.384 (3) |
| C3—H3B | 0.9600 | C17—H17 | 0.9300 |
| C3—H3C | 0.9600 | C18—C19 | 1.376 (3) |
| C3'—H3'1 | 0.9600 | C18—H18 | 0.9300 |
| C3'—H3'2 | 0.9600 | C19—C20 | 1.392 (3) |
| C3'—H3'3 | 0.9600 | C19—C19ii | 1.494 (4) |
| C4—C9 | 1.382 (5) | C20—C21 | 1.387 (3) |
| C4—C5 | 1.383 (4) | C20—H20 | 0.9300 |
| C5—C6 | 1.399 (3) | C21—H21 | 0.9300 |
| C5—H5 | 0.9300 | ||
| O1W—Cd1—O1i | 83.50 (5) | C2—C3'—H3'3 | 109.5 |
| O1W—Cd1—O1 | 83.50 (5) | H3'1—C3'—H3'3 | 109.5 |
| O1i—Cd1—O1 | 167.01 (11) | H3'2—C3'—H3'3 | 109.5 |
| O1W—Cd1—N1 | 93.71 (5) | C9—C4—C5 | 118.4 (3) |
| O1i—Cd1—N1 | 98.30 (7) | C9—C4—C2 | 120.9 (4) |
| O1—Cd1—N1 | 82.55 (7) | C5—C4—C2 | 120.7 (4) |
| O1W—Cd1—N1i | 93.71 (5) | C4—C5—C6 | 120.9 (3) |
| O1i—Cd1—N1i | 82.55 (7) | C4—C5—H5 | 119.5 |
| O1—Cd1—N1i | 98.30 (7) | C6—C5—H5 | 119.5 |
| N1—Cd1—N1i | 172.58 (10) | C7—C6—C5 | 119.7 (3) |
| O1W—Cd1—O2 | 136.77 (6) | C7—C6—C10 | 122.3 (2) |
| O1i—Cd1—O2 | 139.63 (8) | C5—C6—C10 | 118.0 (3) |
| O1—Cd1—O2 | 53.34 (8) | C6—C7—C8 | 119.4 (3) |
| N1—Cd1—O2 | 84.10 (7) | C6—C7—H7 | 120.3 |
| N1i—Cd1—O2 | 90.49 (7) | C8—C7—H7 | 120.3 |
| O1W—Cd1—O2i | 136.77 (6) | C9—C8—C7 | 120.2 (3) |
| O1i—Cd1—O2i | 53.34 (8) | C9—C8—H8 | 119.9 |
| O1—Cd1—O2i | 139.63 (8) | C7—C8—H8 | 119.9 |
| N1—Cd1—O2i | 90.49 (7) | C8—C9—C4 | 121.4 (3) |
| N1i—Cd1—O2i | 84.10 (7) | C8—C9—H9 | 119.3 |
| O2—Cd1—O2i | 86.47 (11) | C4—C9—H9 | 119.3 |
| C1—O1—Cd1 | 94.23 (16) | O3—C10—C6 | 120.0 (2) |
| C1—O2—Cd1 | 88.96 (17) | O3—C10—C11 | 119.5 (3) |
| Cd1—O1W—H1 | 109.5 | C6—C10—C11 | 120.5 (2) |
| C17—N1—C21 | 116.76 (19) | C12—C11—C16 | 118.8 (3) |
| C17—N1—Cd1 | 119.96 (15) | C12—C11—C10 | 122.5 (2) |
| C21—N1—Cd1 | 123.07 (15) | C16—C11—C10 | 118.7 (3) |
| O1—C1—O2 | 122.6 (2) | C11—C12—C13 | 120.1 (3) |
| O1—C1—C2 | 117.4 (3) | C11—C12—H12 | 120.0 |
| O2—C1—C2 | 120.0 (3) | C13—C12—H12 | 120.0 |
| O1—C1—Cd1 | 59.23 (13) | C14—C13—C12 | 119.8 (3) |
| O2—C1—Cd1 | 64.04 (14) | C14—C13—H13 | 120.1 |
| C2—C1—Cd1 | 169.56 (19) | C12—C13—H13 | 120.1 |
| C3'—C2—C3 | 54.9 (5) | C13—C14—C15 | 120.8 (3) |
| C3'—C2—C4 | 116.9 (4) | C13—C14—H14 | 119.6 |
| C3—C2—C4 | 126.2 (4) | C15—C14—H14 | 119.6 |
| C3'—C2—C1 | 124.3 (5) | C14—C15—C16 | 119.7 (3) |
| C3—C2—C1 | 117.7 (4) | C14—C15—H15 | 120.1 |
| C4—C2—C1 | 108.5 (2) | C16—C15—H15 | 120.1 |
| C3'—C2—H2 | 45.1 | C15—C16—C11 | 120.8 (3) |
| C3—C2—H2 | 99.2 | C15—C16—H16 | 119.6 |
| C4—C2—H2 | 99.2 | C11—C16—H16 | 119.6 |
| C1—C2—H2 | 99.2 | N1—C17—C18 | 123.4 (2) |
| C3'—C2—H2' | 100.7 | N1—C17—H17 | 118.3 |
| C3—C2—H2' | 46.6 | C18—C17—H17 | 118.3 |
| C4—C2—H2' | 100.7 | C19—C18—C17 | 120.3 (2) |
| C1—C2—H2' | 100.7 | C19—C18—H18 | 119.9 |
| H2—C2—H2' | 145.7 | C17—C18—H18 | 119.9 |
| C2—C3—H3A | 109.5 | C18—C19—C20 | 116.36 (19) |
| C2—C3—H3B | 109.5 | C18—C19—C19ii | 122.0 (3) |
| H3A—C3—H3B | 109.5 | C20—C19—C19ii | 121.6 (3) |
| C2—C3—H3C | 109.5 | C21—C20—C19 | 119.7 (2) |
| H3A—C3—H3C | 109.5 | C21—C20—H20 | 120.2 |
| H3B—C3—H3C | 109.5 | C19—C20—H20 | 120.2 |
| C2—C3'—H3'1 | 109.5 | N1—C21—C20 | 123.5 (2) |
| C2—C3'—H3'2 | 109.5 | N1—C21—H21 | 118.3 |
| H3'1—C3'—H3'2 | 109.5 | C20—C21—H21 | 118.3 |
| O1W—Cd1—O1—C1 | 177.46 (15) | Cd1—C1—C2—C4 | −2.5 (18) |
| O1i—Cd1—O1—C1 | 177.46 (15) | C3'—C2—C4—C9 | 126.0 (6) |
| N1—Cd1—O1—C1 | 82.84 (15) | C3—C2—C4—C9 | 61.3 (7) |
| N1i—Cd1—O1—C1 | −89.72 (15) | C1—C2—C4—C9 | −87.2 (4) |
| O2—Cd1—O1—C1 | −5.33 (14) | C3'—C2—C4—C5 | −56.3 (6) |
| O2i—Cd1—O1—C1 | 0.9 (2) | C3—C2—C4—C5 | −120.9 (7) |
| C1i—Cd1—O1—C1 | −7.4 (4) | C1—C2—C4—C5 | 90.5 (4) |
| O1W—Cd1—O2—C1 | 9.29 (18) | C9—C4—C5—C6 | −1.7 (4) |
| O1i—Cd1—O2—C1 | −175.73 (14) | C2—C4—C5—C6 | −179.5 (2) |
| O1—Cd1—O2—C1 | 5.24 (14) | C4—C5—C6—C7 | 1.9 (4) |
| N1—Cd1—O2—C1 | −79.84 (15) | C4—C5—C6—C10 | 179.2 (2) |
| N1i—Cd1—O2—C1 | 105.24 (15) | C5—C6—C7—C8 | −0.7 (4) |
| O2i—Cd1—O2—C1 | −170.71 (18) | C10—C6—C7—C8 | −177.9 (3) |
| C1i—Cd1—O2—C1 | −175.28 (10) | C6—C7—C8—C9 | −0.6 (4) |
| O1W—Cd1—N1—C17 | −37.10 (19) | C7—C8—C9—C4 | 0.7 (5) |
| O1i—Cd1—N1—C17 | −121.1 (2) | C5—C4—C9—C8 | 0.4 (4) |
| O1—Cd1—N1—C17 | 45.85 (19) | C2—C4—C9—C8 | 178.2 (3) |
| O2—Cd1—N1—C17 | 99.6 (2) | C7—C6—C10—O3 | 147.3 (3) |
| O2i—Cd1—N1—C17 | −174.0 (2) | C5—C6—C10—O3 | −29.9 (4) |
| O1W—Cd1—N1—C21 | 148.4 (2) | C7—C6—C10—C11 | −32.9 (4) |
| O1i—Cd1—N1—C21 | 64.5 (2) | C5—C6—C10—C11 | 149.9 (2) |
| O1—Cd1—N1—C21 | −128.6 (2) | O3—C10—C11—C12 | 151.6 (3) |
| O2—Cd1—N1—C21 | −74.9 (2) | C6—C10—C11—C12 | −28.2 (4) |
| O2i—Cd1—N1—C21 | 11.5 (2) | O3—C10—C11—C16 | −26.2 (4) |
| C1—Cd1—N1—C21 | −101.9 (2) | C6—C10—C11—C16 | 154.0 (3) |
| C1i—Cd1—N1—C21 | 37.7 (2) | C16—C11—C12—C13 | −0.4 (4) |
| Cd1—O1—C1—O2 | 10.1 (3) | C10—C11—C12—C13 | −178.1 (3) |
| Cd1—O1—C1—C2 | −168.7 (2) | C11—C12—C13—C14 | 0.1 (5) |
| Cd1—O2—C1—O1 | −9.6 (3) | C12—C13—C14—C15 | −0.4 (6) |
| Cd1—O2—C1—C2 | 169.1 (2) | C13—C14—C15—C16 | 1.1 (6) |
| O1W—Cd1—C1—O1 | −2.68 (16) | C14—C15—C16—C11 | −1.4 (5) |
| O1i—Cd1—C1—O1 | −177.57 (14) | C12—C11—C16—C15 | 1.0 (5) |
| N1—Cd1—C1—O1 | −93.06 (15) | C10—C11—C16—C15 | 178.9 (3) |
| N1i—Cd1—C1—O1 | 93.98 (15) | C21—N1—C17—C18 | 0.2 (4) |
| O2—Cd1—C1—O1 | 170.6 (2) | Cd1—N1—C17—C18 | −174.6 (2) |
| O2i—Cd1—C1—O1 | −179.35 (14) | N1—C17—C18—C19 | 0.6 (4) |
| O1—C1—C2—C3' | −150.3 (5) | C17—C18—C19—C20 | −0.8 (4) |
| O2—C1—C2—C3' | 30.9 (6) | C17—C18—C19—C19ii | 179.3 (3) |
| Cd1—C1—C2—C3' | 141.2 (14) | C18—C19—C20—C21 | 0.2 (5) |
| O1—C1—C2—C3 | −85.7 (6) | C19ii—C19—C20—C21 | −179.9 (3) |
| O2—C1—C2—C3 | 95.5 (6) | C17—N1—C21—C20 | −0.9 (5) |
| Cd1—C1—C2—C3 | −154.1 (13) | Cd1—N1—C21—C20 | 173.8 (3) |
| O1—C1—C2—C4 | 65.9 (4) | C19—C20—C21—N1 | 0.7 (5) |
| O2—C1—C2—C4 | −112.9 (4) |
| Symmetry codes: (i) −x+1, y, −z+3/2; (ii) −x+1, −y+1, −z+1. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O1w—H1···O2iii | 0.84 | 2.09 | 2.741 (3) | 135 |
| Symmetry codes: (iii) x, y+1, z. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O1w—H1···O2i | 0.84 | 2.09 | 2.741 (3) | 135 |
| Symmetry codes: (i) x, y+1, z. |
We thank Heilongjiang East University and the University of Malaya for supporting this study.
Barbour, L. J. (2001). J. Supramol. Chem. 1, 189–191.
Briard, P. & Rossi, J. C. (1990). Acta Cryst. C46, 1036–1038.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920–925.
Zhang, Z.-Y., Chen, P.-G., Deng, Z.-P., Yu, N. & Liu, B.-Y. (2007a). Acta Cryst. E63, m1900–m1901.
Zhang, Z.-Y., Yu, N., Guo, X.-X., Pu, J. & Sun, J.-P. (2007b). Acta Cryst. E63, m2883.
The drug, 2-(3-benzoylphenyl)propanoic acid (Kétoprofène) (Briard & Rossi, 1990), forms a small number of metal derivatives; in the cobalt(II) and nickel(II) derivatives, the carboxyl unit binds in a unidentate manner to the water-coordinated metal atoms (Zhang et al., 2007a, 2007b). In the title cadmium–4,4'-bipyridine adduct (Scheme I), the N-heterocycle links adjacent formula units into a chain running along the c-axis of the monoclinic unit cell. The cadmium atom, which lies on a twofold rotation axis, is chelated by the carboxyl unit and it exists in seven-coordinate pentagonal bipyramidal geometry. The apical sites are occupied by N atoms. The water molecule also lies on the twofold rotation axis (Fig. 1). The methyl subsituent of the carboxylate is disordered over two positions in a 1:1 ratio.