Diaquabis[1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylato-κ2O3,O4]manganese(II) benzene-1,4-dicarboxylate tetradecahydrate

✍ Scribed by An, Zhe ;Qi, Wei ;Huang, Jing

• Publisher: International Union of Crystallography
• Year: 2007
• Tongue: English
• Weight: 570 KB
• Volume: 63
• Category: Article
• ISSN: 1600-5368
• DOI: 10.1107/s1600536807032072

✦ Synopsis

In the title compound, [Mn(C 17 H 20 FN 3 O 3 ) 2 (H 2 O) 2 ]-(C 8 H 4 O 4 ).14H 2 O, the Mn II atom (site symmetry 1) exhibits a distorted MnO 6 octahedral geometry defined by two neutral bidentate O,O-bonded 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate (Hpef) zwitterions and two water molecules. The charge-balancing benzene-1,4-dicarboxylate (1,4-bdc) anion is also centrosymmetric. An extensive network of O-HÁ Á ÁO and O-HÁ Á ÁN hydrogen bonds helps to establish the crystal packing. = 111.722 (4) = 92.011 (4) = 102.066 (4) V = 1367.3 (6) A ˚3 Z = 1 Mo K radiation = 0.34 mm À1 T = 295 (2) K 0.34 Â 0.26 Â 0.18 mm Data collection Bruker SMART CCD diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.894, T max = 0.942 11720 measured reflections 5353 independent reflections 4645 reflections with I > 2(I) R int = 0.013 Refinement R[F 2 > 2(F 2 )] = 0.036 wR(F 2 ) = 0.098 S = 1.03 5353 reflections 402 parameters 25 restraints H atoms treated by a mixture of independent and constrained refinement Á max = 0.38 e A ˚À3 Á min = À0.35 e A ˚À3

The authors thank the Innovation Science Foundation of Harbin Medical University for financial support (grant No.