Crystal structure of besifloxacin hydrochloride, C19H22ClFN3O3Cl

被引：2
作者：
Kaduk, James A. [1 ,2 ]
Gates-Rector, Stacy [3 ]
Blanton, Thomas N. [3 ]
机构：
[1] IIT, 3101 S Dearborn St, Chicago, IL 60616 USA
[2] North Cent Coll, 131 S Loomis St, Naperville, IL 60540 USA
[3] ICDD, 12 Campus Blvd, Newtown Sq, PA 19073 USA
来源：
POWDER DIFFRACTION | 2023年 / 38卷 / 01期
关键词：
besifloxacin; Besivance; powder diffraction; Rietveld refinement; density functional theory; DENSITY;
D O I：
10.1017/S0885715622000586
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
The crystal structure of besifloxacin hydrochloride has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Besifloxacin hydrochloride crystallizes in space group P1 (#1) with a = 5.36596(8), b = 10.3234(4), c = 17.9673(14) angstrom, alpha = 98.122(5), beta = 92.9395(9), gamma = 96.1135(3)degrees, V = 977.483(13) angstrom(3), and Z = 2. The crystal structure is approximately centrosymmetric. Strong N-HMIDLINE HORIZONTAL ELLIPSISCl hydrogen bonds form a corrugated ladder-like chain along the a-axis. The carboxylic acid group in each independent cation acts as the donor in a strong intramolecular O-HMIDLINE HORIZONTAL ELLIPSISO hydrogen bond to an adjacent carbonyl group. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File (TM) (PDF (R)).
引用
收藏
页码：43 / 52
页数：10
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