Crystal structure of racemic benserazide hydrochloride Form I, C10H16N3O5Cl

被引：0
|
作者：
Kaduk, James A. [1 ,2 ]
Dosen, Anja [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 | 2024年
基金：
加拿大创新基金会; 加拿大自然科学与工程研究理事会;
关键词：
benserazide; Serazide; crystal structure; Rietveld refinement; density functional theory; DENSITY;
D O I：
10.1017/S0885715624000496
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
The crystal structure of benserazide hydrochloride Form I has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Benserazide hydrochloride Form I crystallizes in space group P2(1)/n (#14) with a = 19.22983(15), b = 14.45066(10), c = 4.57982(2) & Aring;, beta = 93.6935(3), V = 1270.014(15) & Aring;(3), and Z = 4 at 295 K. The crystal structure contains pairs of hydrogen-bonded benserazide cations, which are hydrogen bonded to chloride anions, resulting in chains along the c-axis. In addition, O-H & ctdot;Cl, N-H & ctdot;O, O-H & ctdot;N, and O-H & ctdot;O hydrogen bonds link the cations and anions into a three-dimensional framework. The powder pattern has been submitted to ICDD (R) for inclusion in the Powder Diffraction File (TM) (PDF (R)).
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页数：7
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