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Synthesis and Crystal Structure of 1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo- 1,4-dihydro-3-quinoline carboxylic acid-(O3,O4)-bis-(acetate-O)borate
Corresponding Author(s) : Chuan Zhang
Asian Journal of Chemistry,
Vol. 25 No. 11 (2013): Vol 25 Issue 11
Abstract
The crystal structure of the 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinoline carboxylic acid-(O3,O4)-bis-(acetate-O)borate has been determined by single crystal X-ray diffraction method. The crystal belongs to monoclinic with space group P2(1)/n, with a = 16.818(9), b = 6.585(4), c = 18.663(4)Å, a = 90, b = 107.351(7), g = 90º, V = 1972.8(18)Å3, Z = 4, Dx = 1.479 Mg/m3, l(MoKa) = 0.128, F(000) = 908, μ(MoKa) = 0.128 mm-1, R = 0.1083 and wR = 0.3062 for 2378 reflections with I > 2s(I). The two rings of fluoroquinolone and borate ring are almost coplanar with dihedral angles values lower than 2º. The crystal structure is stabilized by intermolecular hydrogen bonds and p-p stacking interactions.
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References
C. Dye, S. Scheele, P. Dolin, V. Pathania and M.C. Raviglione, J. Am. Med. Assoc., 282, 677 (1999).
A. Kochi, Bull. World Health Organ., 79, 71 (2001).
L.S. Feng, M.L. Liu, B. Wang, Y. Chai, X.Q. Hao, S. Meng and H.Y. Guo, Eur. J. Med. Chem., 45, 3407 (2010).
P. Senthilkumar, M. Dinakaran, D. Banerjee, R.V. Devakaram, P. Yogeeswari,A. China, V. Nagaraja and D. Srirama, Bioorg. Med. Chem., 16, 2558 (2008).
C. Satyanarayana, S.G. Ramanjaneyulu, V.U. Rao and D.V. Narasimharao, US Patent 0264635 (2006).
D.R. Rao, R.N. Kankan, S.L. Pathi, R. Puppala, M. Gangrade and S. Kanathala, US Patent 0152229 (2010).
A. Castellin, P. Pad ovan, J.G. Liu, Y.B. Zhou and L. Feng, US Patent 0230661 (2011).
G.M. Sheldrick, Programs SMART and SHELXTL, Bruker AXS, Inc., Madison, WI, USA (2003).
G.M. Sheldrick, SHELXS-97, Program for the Solution of Crystal Structures and SHELXL-97, Program for the Refinement of Crystal Structures, University of Göttingen, Germany (1997).