Acta Cryst. (2007). E63, m2009 [ doi:10.1107/S1600536807030681 ]
In the title compound, [Co(C17H19FN3O3)2(H2O)2]·8H2O, the CoII atom (site symmetry 
) exhibits a distorted octahedral geometry that is defined by two bidentate O,O-bonded 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate (pef) monoanions and two water molecules. A network of O-H
O and O-HN hydrogen bonds help to establish the crystal packing.
A mixture of Co(CH3COO)2·4H2O (0.062 g, 0.25 mmol), Hpef (0.17 g, 0.5 mmol) and water (12 ml) was stirred for 30 min in air. The mixture was then transferred to a 23 ml Teflon-lined hydrothermal bomb. The bomb was heated to 433 K for 72 h under autogenous pressure. Pink blocks of (I) suitable for X-ray analysis were obtained from the reaction mixture upon cooling.
The carbon-bound H atoms were positioned geometrically (C—H = 0.93–0.97 Å) and refined as riding with Uiso(H) = 1.2Ueq(C). The H atoms on the water molecules were located in a difference map and refined with a distance restraint of 0.85 (1)Å and the constraint Uiso(H) = 1.5Ueq(O).
Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.
![[Figure 1]](./hb2455fig1thm.gif)
| Fig. 1. The molecular structure of (I), showing 50% displacement ellipsoids (arbitrary spheres for the H atoms). Symmetry code: (i) 1 − x, 1 − y, −z. |
| [Co(C17H19FN3O3)2(H2O)2]·8H2O | Z = 1 |
| Mr = 903.79 | F000 = 477 |
| Triclinic, P1 | Dx = 1.403 Mg m−3 |
| Hall symbol: -P 1 | Mo Kα radiation λ = 0.71069 Å |
| a = 8.889 (5) Å | Cell parameters from 2882 reflections |
| b = 10.231 (5) Å | θ = 1.7–25.0º |
| c = 12.911 (5) Å | µ = 0.48 mm−1 |
| α = 73.287 (5)º | T = 295 (2) K |
| β = 72.040 (5)º | Block, pink |
| γ = 85.603 (5)º | 0.34 × 0.26 × 0.17 mm |
| V = 1069.7 (9) Å3 |
| Bruker SMART CCD diffractometer | 3756 independent reflections |
| Radiation source: fine-focus sealed tube | 3380 reflections with I > 2σ(I) |
| Monochromator: graphite | Rint = 0.015 |
| T = 295(2) K | θmax = 25.0º |
| ω scans | θmin = 1.7º |
| Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −6→10 |
| Tmin = 0.853, Tmax = 0.922 | k = −12→11 |
| 5428 measured reflections | l = −15→15 |
| Refinement on F2 | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: difmap and geom |
| R[F2 > 2σ(F2)] = 0.034 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.103 | w = 1/[σ2(Fo2) + (0.055P)2 + 0.3439P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.10 | (Δ/σ)max < 0.001 |
| 3756 reflections | Δρmax = 0.48 e Å−3 |
| 300 parameters | Δρmin = −0.37 e Å−3 |
| 15 restraints | Extinction correction: none |
| Primary atom site location: structure-invariant direct methods |
| [Co(C17H19FN3O3)2(H2O)2]·8H2O | γ = 85.603 (5)º |
| Mr = 903.79 | V = 1069.7 (9) Å3 |
| Triclinic, P1 | Z = 1 |
| a = 8.889 (5) Å | Mo Kα |
| b = 10.231 (5) Å | µ = 0.48 mm−1 |
| c = 12.911 (5) Å | T = 295 (2) K |
| α = 73.287 (5)º | 0.34 × 0.26 × 0.17 mm |
| β = 72.040 (5)º |
| Bruker SMART CCD diffractometer | 3756 independent reflections |
| Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 3380 reflections with I > 2σ(I) |
| Tmin = 0.853, Tmax = 0.922 | Rint = 0.015 |
| 5428 measured reflections |
| R[F2 > 2σ(F2)] = 0.034 | 15 restraints |
| wR(F2) = 0.103 | H atoms treated by a mixture of independent and constrained refinement |
| S = 1.10 | Δρmax = 0.48 e Å−3 |
| 3756 reflections | Δρmin = −0.37 e Å−3 |
| 300 parameters |
| x | y | z | Uiso*/Ueq | ||
| Co1 | 0.5000 | 0.5000 | 0.0000 | 0.02908 (14) | |
| C1 | 0.5131 (2) | 0.2447 (2) | 0.19334 (17) | 0.0301 (4) | |
| C2 | 0.4572 (2) | 0.3295 (2) | 0.27595 (16) | 0.0283 (4) | |
| C3 | 0.4449 (2) | 0.2636 (2) | 0.38738 (17) | 0.0307 (4) | |
| H3 | 0.4774 | 0.1733 | 0.4036 | 0.037* | |
| C4 | 0.3317 (2) | 0.45088 (19) | 0.45597 (16) | 0.0273 (4) | |
| C5 | 0.2592 (2) | 0.5077 (2) | 0.54588 (16) | 0.0296 (4) | |
| H5 | 0.2524 | 0.4571 | 0.6197 | 0.036* | |
| C6 | 0.1977 (2) | 0.6377 (2) | 0.52631 (16) | 0.0296 (4) | |
| C7 | 0.2172 (3) | 0.7112 (2) | 0.41160 (18) | 0.0347 (5) | |
| C8 | 0.2845 (2) | 0.6589 (2) | 0.32356 (17) | 0.0328 (4) | |
| H8 | 0.2920 | 0.7108 | 0.2500 | 0.039* | |
| C9 | 0.3434 (2) | 0.52531 (19) | 0.34378 (16) | 0.0273 (4) | |
| C10 | 0.4125 (2) | 0.4693 (2) | 0.24821 (16) | 0.0274 (4) | |
| C11 | 0.3830 (3) | 0.2310 (2) | 0.58984 (17) | 0.0361 (5) | |
| H11A | 0.4012 | 0.2874 | 0.6338 | 0.043* | |
| H11B | 0.4663 | 0.1640 | 0.5843 | 0.043* | |
| C12 | 0.2252 (4) | 0.1581 (3) | 0.6505 (2) | 0.0605 (7) | |
| H12A | 0.1427 | 0.2241 | 0.6585 | 0.091* | |
| H12B | 0.2258 | 0.1022 | 0.7242 | 0.091* | |
| H12C | 0.2069 | 0.1018 | 0.6075 | 0.091* | |
| C13 | 0.1324 (2) | 0.6346 (2) | 0.72586 (17) | 0.0333 (4) | |
| H13A | 0.2394 | 0.6045 | 0.7229 | 0.040* | |
| H13B | 0.0627 | 0.5552 | 0.7595 | 0.040* | |
| C14 | 0.0828 (3) | 0.7342 (2) | 0.79736 (18) | 0.0399 (5) | |
| H14A | 0.0900 | 0.6906 | 0.8730 | 0.048* | |
| H14B | 0.1540 | 0.8127 | 0.7642 | 0.048* | |
| C15 | −0.0391 (3) | 0.7464 (2) | 0.61697 (19) | 0.0386 (5) | |
| H15A | −0.1096 | 0.6675 | 0.6488 | 0.046* | |
| H15B | −0.0455 | 0.7914 | 0.5413 | 0.046* | |
| C16 | −0.0896 (3) | 0.8433 (2) | 0.68983 (19) | 0.0393 (5) | |
| H16A | −0.0223 | 0.9242 | 0.6556 | 0.047* | |
| H16B | −0.1975 | 0.8713 | 0.6937 | 0.047* | |
| C17 | −0.1262 (4) | 0.8792 (3) | 0.8708 (2) | 0.0576 (7) | |
| H17A | −0.0605 | 0.9595 | 0.8328 | 0.086* | |
| H17B | −0.1137 | 0.8398 | 0.9446 | 0.086* | |
| H17C | −0.2348 | 0.9033 | 0.8782 | 0.086* | |
| F1 | 0.16971 (19) | 0.84283 (13) | 0.38897 (11) | 0.0547 (4) | |
| N1 | 0.3904 (2) | 0.31782 (16) | 0.47450 (13) | 0.0301 (4) | |
| N2 | 0.12440 (19) | 0.70204 (17) | 0.61093 (14) | 0.0304 (4) | |
| N3 | −0.0797 (2) | 0.77955 (18) | 0.80430 (15) | 0.0380 (4) | |
| O1 | 0.53493 (18) | 0.30345 (14) | 0.08824 (12) | 0.0374 (3) | |
| O2 | 0.5324 (2) | 0.12126 (15) | 0.23227 (13) | 0.0464 (4) | |
| O3 | 0.42376 (18) | 0.54564 (14) | 0.14985 (11) | 0.0358 (3) | |
| O1W | 0.6676 (2) | 0.14217 (17) | 0.94617 (14) | 0.0480 (4) | |
| O2W | 0.7499 (2) | 0.66234 (18) | 0.16054 (15) | 0.0491 (4) | |
| O3W | 0.5779 (2) | 0.90613 (18) | 0.13899 (16) | 0.0523 (4) | |
| O4W | 0.9208 (2) | 0.3290 (2) | 0.9021 (2) | 0.0768 (7) | |
| O5W | 0.74297 (18) | 0.55369 (16) | −0.02246 (13) | 0.0414 (4) | |
| H4W1 | 0.867 (2) | 0.263 (2) | 0.904 (2) | 0.062* | |
| H3W1 | 0.493 (2) | 0.889 (3) | 0.128 (2) | 0.062* | |
| H3W2 | 0.561 (3) | 0.969 (2) | 0.172 (2) | 0.062* | |
| H1W1 | 0.628 (3) | 0.1962 (19) | 0.9860 (18) | 0.062* | |
| H1W2 | 0.680 (3) | 0.0644 (14) | 0.9890 (18) | 0.062* | |
| H2W1 | 0.708 (3) | 0.7396 (15) | 0.151 (2) | 0.062* | |
| H2W2 | 0.752 (3) | 0.627 (2) | 0.1088 (18) | 0.062* | |
| H5W1 | 0.781 (3) | 0.6243 (15) | −0.0782 (16) | 0.062* | |
| H5W2 | 0.792 (3) | 0.4842 (15) | −0.041 (2) | 0.062* | |
| H4W2 | 1.0178 (12) | 0.314 (2) | 0.884 (2) | 0.062* |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Co1 | 0.0346 (2) | 0.0295 (2) | 0.0213 (2) | 0.00173 (15) | −0.00322 (15) | −0.01031 (15) |
| C1 | 0.0304 (10) | 0.0307 (11) | 0.0299 (11) | 0.0019 (8) | −0.0058 (8) | −0.0135 (9) |
| C2 | 0.0277 (10) | 0.0298 (10) | 0.0279 (10) | 0.0008 (8) | −0.0054 (8) | −0.0119 (8) |
| C3 | 0.0336 (11) | 0.0263 (10) | 0.0323 (11) | 0.0036 (8) | −0.0083 (9) | −0.0110 (8) |
| C4 | 0.0281 (10) | 0.0274 (10) | 0.0265 (10) | −0.0013 (8) | −0.0063 (8) | −0.0093 (8) |
| C5 | 0.0332 (11) | 0.0311 (10) | 0.0228 (9) | −0.0004 (8) | −0.0051 (8) | −0.0083 (8) |
| C6 | 0.0300 (10) | 0.0328 (10) | 0.0257 (10) | −0.0007 (8) | −0.0041 (8) | −0.0119 (8) |
| C7 | 0.0434 (12) | 0.0265 (10) | 0.0310 (11) | 0.0065 (9) | −0.0073 (9) | −0.0091 (8) |
| C8 | 0.0412 (12) | 0.0307 (11) | 0.0226 (10) | 0.0004 (9) | −0.0057 (8) | −0.0058 (8) |
| C9 | 0.0291 (10) | 0.0272 (10) | 0.0245 (10) | −0.0018 (8) | −0.0039 (8) | −0.0093 (8) |
| C10 | 0.0263 (10) | 0.0306 (10) | 0.0248 (10) | −0.0028 (8) | −0.0044 (8) | −0.0095 (8) |
| C11 | 0.0495 (13) | 0.0325 (11) | 0.0284 (11) | 0.0055 (9) | −0.0165 (9) | −0.0078 (9) |
| C12 | 0.0781 (19) | 0.0554 (16) | 0.0415 (14) | −0.0244 (14) | −0.0235 (14) | 0.0088 (12) |
| C13 | 0.0349 (11) | 0.0365 (11) | 0.0264 (10) | 0.0047 (9) | −0.0061 (8) | −0.0103 (8) |
| C14 | 0.0455 (13) | 0.0460 (13) | 0.0294 (11) | −0.0001 (10) | −0.0080 (10) | −0.0158 (10) |
| C15 | 0.0357 (11) | 0.0454 (13) | 0.0379 (12) | 0.0105 (10) | −0.0116 (9) | −0.0185 (10) |
| C16 | 0.0369 (12) | 0.0361 (12) | 0.0402 (12) | 0.0077 (9) | −0.0033 (9) | −0.0139 (10) |
| C17 | 0.0745 (18) | 0.0459 (14) | 0.0454 (14) | 0.0048 (13) | 0.0045 (13) | −0.0272 (12) |
| F1 | 0.0874 (11) | 0.0312 (7) | 0.0354 (7) | 0.0207 (7) | −0.0088 (7) | −0.0094 (6) |
| N1 | 0.0369 (9) | 0.0278 (8) | 0.0248 (8) | 0.0038 (7) | −0.0082 (7) | −0.0082 (7) |
| N2 | 0.0307 (9) | 0.0346 (9) | 0.0254 (8) | 0.0057 (7) | −0.0046 (7) | −0.0129 (7) |
| N3 | 0.0420 (10) | 0.0338 (9) | 0.0326 (9) | 0.0018 (8) | 0.0026 (8) | −0.0157 (8) |
| O1 | 0.0512 (9) | 0.0331 (8) | 0.0268 (8) | 0.0062 (7) | −0.0065 (6) | −0.0137 (6) |
| O2 | 0.0740 (11) | 0.0291 (8) | 0.0368 (8) | 0.0121 (7) | −0.0158 (8) | −0.0143 (7) |
| O3 | 0.0518 (9) | 0.0302 (7) | 0.0214 (7) | 0.0047 (6) | −0.0051 (6) | −0.0086 (6) |
| O1W | 0.0664 (11) | 0.0362 (9) | 0.0383 (9) | 0.0063 (8) | −0.0065 (8) | −0.0170 (7) |
| O2W | 0.0560 (11) | 0.0459 (10) | 0.0481 (10) | 0.0083 (8) | −0.0200 (8) | −0.0141 (8) |
| O3W | 0.0652 (12) | 0.0428 (10) | 0.0590 (11) | 0.0121 (8) | −0.0257 (9) | −0.0248 (8) |
| O4W | 0.0406 (10) | 0.0666 (14) | 0.1171 (19) | −0.0018 (9) | −0.0131 (12) | −0.0269 (13) |
| O5W | 0.0394 (9) | 0.0383 (8) | 0.0421 (9) | −0.0033 (7) | −0.0068 (7) | −0.0096 (7) |
| Co1—O3i | 2.0206 (15) | C12—H12B | 0.9600 |
| Co1—O3 | 2.0206 (15) | C12—H12C | 0.9600 |
| Co1—O1 | 2.0598 (16) | C13—N2 | 1.467 (3) |
| Co1—O1i | 2.0598 (16) | C13—C14 | 1.519 (3) |
| Co1—O5W | 2.180 (2) | C13—H13A | 0.9700 |
| Co1—O5Wi | 2.180 (2) | C13—H13B | 0.9700 |
| C1—O2 | 1.237 (3) | C14—N3 | 1.467 (3) |
| C1—O1 | 1.275 (2) | C14—H14A | 0.9700 |
| C1—C2 | 1.509 (3) | C14—H14B | 0.9700 |
| C2—C3 | 1.376 (3) | C15—N2 | 1.475 (3) |
| C2—C10 | 1.428 (3) | C15—C16 | 1.509 (3) |
| C3—N1 | 1.338 (3) | C15—H15A | 0.9700 |
| C3—H3 | 0.9300 | C15—H15B | 0.9700 |
| C4—N1 | 1.401 (3) | C16—N3 | 1.461 (3) |
| C4—C5 | 1.403 (3) | C16—H16A | 0.9700 |
| C4—C9 | 1.405 (3) | C16—H16B | 0.9700 |
| C5—C6 | 1.383 (3) | C17—N3 | 1.472 (3) |
| C5—H5 | 0.9300 | C17—H17A | 0.9600 |
| C6—N2 | 1.400 (2) | C17—H17B | 0.9600 |
| C6—C7 | 1.418 (3) | C17—H17C | 0.9600 |
| C7—C8 | 1.348 (3) | O1W—H1W1 | 0.846 (10) |
| C7—F1 | 1.356 (2) | O1W—H1W2 | 0.849 (10) |
| C8—C9 | 1.407 (3) | O2W—H2W1 | 0.840 (19) |
| C8—H8 | 0.9300 | O2W—H2W2 | 0.84 (2) |
| C9—C10 | 1.454 (3) | O3W—H3W1 | 0.848 (10) |
| C10—O3 | 1.263 (2) | O3W—H3W2 | 0.851 (10) |
| C11—N1 | 1.483 (3) | O4W—H4W1 | 0.844 (10) |
| C11—C12 | 1.511 (3) | O4W—H4W2 | 0.835 (10) |
| C11—H11A | 0.9700 | O5W—H5W1 | 0.862 (10) |
| C11—H11B | 0.9700 | O5W—H5W2 | 0.856 (10) |
| C12—H12A | 0.9600 | ||
| O3i—Co1—O3 | 180.0 | H12A—C12—H12B | 109.5 |
| O3i—Co1—O1 | 92.09 (6) | C11—C12—H12C | 109.5 |
| O3—Co1—O1 | 87.91 (6) | H12A—C12—H12C | 109.5 |
| O3i—Co1—O1i | 87.91 (6) | H12B—C12—H12C | 109.5 |
| O3—Co1—O1i | 92.09 (6) | N2—C13—C14 | 109.25 (17) |
| O1—Co1—O1i | 180.0 | N2—C13—H13A | 109.8 |
| O3i—Co1—O5W | 88.65 (6) | C14—C13—H13A | 109.8 |
| O3—Co1—O5W | 91.35 (6) | N2—C13—H13B | 109.8 |
| O1—Co1—O5W | 90.07 (6) | C14—C13—H13B | 109.8 |
| O1i—Co1—O5W | 89.93 (6) | H13A—C13—H13B | 108.3 |
| O3i—Co1—O5Wi | 91.35 (6) | N3—C14—C13 | 110.74 (17) |
| O3—Co1—O5Wi | 88.65 (6) | N3—C14—H14A | 109.5 |
| O1—Co1—O5Wi | 89.93 (6) | C13—C14—H14A | 109.5 |
| O1i—Co1—O5Wi | 90.07 (6) | N3—C14—H14B | 109.5 |
| O5W—Co1—O5Wi | 180.0 | C13—C14—H14B | 109.5 |
| O2—C1—O1 | 123.93 (18) | H14A—C14—H14B | 108.1 |
| O2—C1—C2 | 117.69 (18) | N2—C15—C16 | 110.02 (18) |
| O1—C1—C2 | 118.37 (17) | N2—C15—H15A | 109.7 |
| C3—C2—C10 | 118.28 (17) | C16—C15—H15A | 109.7 |
| C3—C2—C1 | 116.25 (17) | N2—C15—H15B | 109.7 |
| C10—C2—C1 | 125.44 (17) | C16—C15—H15B | 109.7 |
| N1—C3—C2 | 125.78 (18) | H15A—C15—H15B | 108.2 |
| N1—C3—H3 | 117.1 | N3—C16—C15 | 111.24 (18) |
| C2—C3—H3 | 117.1 | N3—C16—H16A | 109.4 |
| N1—C4—C5 | 121.73 (17) | C15—C16—H16A | 109.4 |
| N1—C4—C9 | 117.70 (17) | N3—C16—H16B | 109.4 |
| C5—C4—C9 | 120.55 (18) | C15—C16—H16B | 109.4 |
| C6—C5—C4 | 120.95 (18) | H16A—C16—H16B | 108.0 |
| C6—C5—H5 | 119.5 | N3—C17—H17A | 109.5 |
| C4—C5—H5 | 119.5 | N3—C17—H17B | 109.5 |
| C5—C6—N2 | 124.57 (18) | H17A—C17—H17B | 109.5 |
| C5—C6—C7 | 116.71 (17) | N3—C17—H17C | 109.5 |
| N2—C6—C7 | 118.67 (18) | H17A—C17—H17C | 109.5 |
| C8—C7—F1 | 118.16 (18) | H17B—C17—H17C | 109.5 |
| C8—C7—C6 | 123.67 (18) | C3—N1—C4 | 119.52 (16) |
| F1—C7—C6 | 118.13 (17) | C3—N1—C11 | 118.58 (16) |
| C7—C8—C9 | 119.53 (18) | C4—N1—C11 | 121.75 (16) |
| C7—C8—H8 | 120.2 | C6—N2—C13 | 117.51 (16) |
| C9—C8—H8 | 120.2 | C6—N2—C15 | 115.44 (16) |
| C4—C9—C8 | 118.51 (17) | C13—N2—C15 | 109.06 (16) |
| C4—C9—C10 | 122.62 (17) | C16—N3—C14 | 109.00 (16) |
| C8—C9—C10 | 118.87 (17) | C16—N3—C17 | 109.03 (18) |
| O3—C10—C2 | 126.05 (18) | C14—N3—C17 | 110.79 (19) |
| O3—C10—C9 | 118.16 (18) | C1—O1—Co1 | 132.96 (12) |
| C2—C10—C9 | 115.76 (17) | C10—O3—Co1 | 129.04 (13) |
| N1—C11—C12 | 112.06 (18) | H1W1—O1W—H1W2 | 109.4 (15) |
| N1—C11—H11A | 109.2 | H2W1—O2W—H2W2 | 112.1 (16) |
| C12—C11—H11A | 109.2 | H3W1—O3W—H3W2 | 109.2 (15) |
| N1—C11—H11B | 109.2 | H4W1—O4W—H4W2 | 112.0 (16) |
| C12—C11—H11B | 109.2 | Co1—O5W—H5W1 | 114.6 (19) |
| H11A—C11—H11B | 107.9 | Co1—O5W—H5W2 | 100.6 (18) |
| C11—C12—H12A | 109.5 | H5W1—O5W—H5W2 | 107.0 (15) |
| C11—C12—H12B | 109.5 | ||
| O2—C1—C2—C3 | 5.2 (3) | C2—C3—N1—C4 | 3.5 (3) |
| O1—C1—C2—C3 | −176.05 (18) | C2—C3—N1—C11 | 179.04 (19) |
| O2—C1—C2—C10 | −172.9 (2) | C5—C4—N1—C3 | 173.72 (18) |
| O1—C1—C2—C10 | 5.9 (3) | C9—C4—N1—C3 | −4.4 (3) |
| C10—C2—C3—N1 | 1.8 (3) | C5—C4—N1—C11 | −1.7 (3) |
| C1—C2—C3—N1 | −176.44 (18) | C9—C4—N1—C11 | −179.82 (17) |
| N1—C4—C5—C6 | −178.05 (18) | C12—C11—N1—C3 | −91.1 (2) |
| C9—C4—C5—C6 | 0.1 (3) | C12—C11—N1—C4 | 84.3 (2) |
| C4—C5—C6—N2 | −179.66 (18) | C5—C6—N2—C13 | 8.6 (3) |
| C4—C5—C6—C7 | −2.3 (3) | C7—C6—N2—C13 | −168.65 (18) |
| C5—C6—C7—C8 | 3.2 (3) | C5—C6—N2—C15 | −122.3 (2) |
| N2—C6—C7—C8 | −179.29 (19) | C7—C6—N2—C15 | 60.4 (2) |
| C5—C6—C7—F1 | −174.77 (18) | C14—C13—N2—C6 | 166.40 (17) |
| N2—C6—C7—F1 | 2.7 (3) | C14—C13—N2—C15 | −59.8 (2) |
| F1—C7—C8—C9 | 176.32 (19) | C16—C15—N2—C6 | −165.98 (18) |
| C6—C7—C8—C9 | −1.7 (3) | C16—C15—N2—C13 | 59.2 (2) |
| N1—C4—C9—C8 | 179.74 (17) | C15—C16—N3—C14 | 57.5 (2) |
| C5—C4—C9—C8 | 1.6 (3) | C15—C16—N3—C17 | 178.60 (19) |
| N1—C4—C9—C10 | 0.4 (3) | C13—C14—N3—C16 | −58.4 (2) |
| C5—C4—C9—C10 | −177.81 (17) | C13—C14—N3—C17 | −178.33 (19) |
| C7—C8—C9—C4 | −0.8 (3) | O2—C1—O1—Co1 | 175.48 (15) |
| C7—C8—C9—C10 | 178.62 (19) | C2—C1—O1—Co1 | −3.2 (3) |
| C3—C2—C10—O3 | 176.41 (18) | O3i—Co1—O1—C1 | −179.59 (18) |
| C1—C2—C10—O3 | −5.5 (3) | O3—Co1—O1—C1 | 0.41 (18) |
| C3—C2—C10—C9 | −5.5 (3) | O5W—Co1—O1—C1 | 91.75 (19) |
| C1—C2—C10—C9 | 172.50 (17) | O5Wi—Co1—O1—C1 | −88.25 (19) |
| C4—C9—C10—O3 | −177.22 (18) | C2—C10—O3—Co1 | 2.1 (3) |
| C8—C9—C10—O3 | 3.4 (3) | C9—C10—O3—Co1 | −175.93 (13) |
| C4—C9—C10—C2 | 4.6 (3) | O1—Co1—O3—C10 | 0.37 (17) |
| C8—C9—C10—C2 | −174.79 (18) | O1i—Co1—O3—C10 | −179.63 (17) |
| N2—C13—C14—N3 | 60.3 (2) | O5W—Co1—O3—C10 | −89.65 (17) |
| N2—C15—C16—N3 | −58.6 (2) | O5Wi—Co1—O3—C10 | 90.35 (17) |
| Symmetry codes: (i) −x+1, −y+1, −z. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O4W—H4W1···O1W | 0.844 (10) | 2.083 (12) | 2.879 (3) | 157 (2) |
| O3W—H3W1···O1Wii | 0.848 (10) | 2.035 (12) | 2.859 (3) | 164 (3) |
| O3W—H3W2···O2iii | 0.851 (10) | 1.899 (10) | 2.747 (2) | 174 (3) |
| O1W—H1W1···O1iv | 0.846 (10) | 1.911 (11) | 2.754 (2) | 175 (2) |
| O1W—H1W2···O3Wv | 0.849 (10) | 2.129 (18) | 2.877 (3) | 147 (2) |
| O2W—H2W1···O3W | 0.840 (9) | 1.979 (11) | 2.813 (3) | 171 (3) |
| O2W—H2W2···O5W | 0.840 (9) | 2.066 (11) | 2.904 (3) | 175 (2) |
| O5W—H5W1···N3vi | 0.862 (10) | 2.029 (12) | 2.870 (3) | 165 (3) |
| O5W—H5W2···O4Wvii | 0.856 (10) | 2.064 (11) | 2.918 (3) | 175 (2) |
| O4W—H4W2···O2Wviii | 0.835 (10) | 1.980 (11) | 2.787 (3) | 162 (2) |
| Symmetry codes: (ii) −x+1, −y+1, −z+1; (iii) x, y+1, z; (iv) x, y, z+1; (v) x, y−1, z+1; (vi) x+1, y, z−1; (vii) x, y, z−1; (viii) −x+2, −y+1, −z+1. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O4W—H4W1···O1W | 0.844 (10) | 2.083 (12) | 2.879 (3) | 157 (2) |
| O3W—H3W1···O1Wi | 0.848 (10) | 2.035 (12) | 2.859 (3) | 164 (3) |
| O3W—H3W2···O2ii | 0.851 (10) | 1.899 (10) | 2.747 (2) | 174 (3) |
| O1W—H1W1···O1iii | 0.846 (10) | 1.911 (11) | 2.754 (2) | 175 (2) |
| O1W—H1W2···O3Wiv | 0.849 (10) | 2.129 (18) | 2.877 (3) | 147 (2) |
| O2W—H2W1···O3W | 0.840 (9) | 1.979 (11) | 2.813 (3) | 171 (3) |
| O2W—H2W2···O5W | 0.840 (9) | 2.066 (11) | 2.904 (3) | 175 (2) |
| O5W—H5W1···N3v | 0.862 (10) | 2.029 (12) | 2.870 (3) | 165 (3) |
| O5W—H5W2···O4Wvi | 0.856 (10) | 2.064 (11) | 2.918 (3) | 175 (2) |
| O4W—H4W2···O2Wvii | 0.835 (10) | 1.980 (11) | 2.787 (3) | 162 (2) |
| Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x, y+1, z; (iii) x, y, z+1; (iv) x, y−1, z+1; (v) x+1, y, z−1; (vi) x, y, z−1; (vii) −x+2, −y+1, −z+1. |
The authors thank the Innovation Science Foundation of Harbin Medical University for financial support (grant No. 060041).
Baenziger, N. C., Fox, C. L. & Modak, S. L. (1986). Acta Cryst. C42, 1505–1509.
Bruker (1998). SMART (Version ???), SAINT-Plus (Version ???) and SHELXTL (Version 5.16). Bruker AXS Inc., Madison, Wisconsin, USA.
Mizuki, Y., Fujiwara, I. & Yamaguchi, T. (1996). J. Antimicrob. Chemother. 37, Suppl. A, 41–XX.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (1997). SHELXL97 and SHELXS97. University of Göttingen, Germany.
Pefloxacin (Hpef, 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid) is member of a class of quinolones used to treat infections (Mizuki et al., 1996). The silver(I) derivative of pefloxacin have been reported (Baenziger et al., 1986). The title cobalt(II) derivative, (I), is reported here.
The CoII atom (site symmetry 1) in (I) exhibits a distorted octahedral geometry, defined by six oxygen atoms from two pefloxacin ligands and two water (Table 1, Fig. 1). The component species in (I) are linked by the O—H···O and O—H···N hydrogen bonds involving all the potential donors, generating a three-dimensional supramolecular network.