Crystallography Open Database

Information card for entry 7228138

Preview

Coordinates	7228138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 Cl3 N2 O4
Calculated formula	C20 H17 Cl3 N2 O4
SMILES	Clc1ccc(C(=O)NC(Cc2cc(=O)[nH]c3c2cccc3)C(=O)O)cc1.ClCCl
Title of publication	Solvates and polymorphs of rebamipide: preparation, characterization, and physicochemical analysis
Authors of publication	Xiong, Xinnuo; Du, Qiaohong; Zeng, Xia; He, Jiawei; Yang, Hongqin; Li, Hui
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	38
Pages of publication	23279
a	14.3285 ± 0.0016 Å
b	9.7542 ± 0.0004 Å
c	21.475 ± 0.002 Å
α	90°
β	136.08 ± 0.02°
γ	90°
Cell volume	2081.9 ± 0.8 Å³
Cell temperature	142.95 ± 0.1 K
Ambient diffraction temperature	142.95 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.103
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1612
Weighted residual factors for all reflections included in the refinement	0.1755
Goodness-of-fit parameter for all reflections included in the refinement	0.912
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
195842 (current)	2017-04-28	cif/ Adding structures of 7228138, 7228139 via cif-deposit CGI script.	7228138.cif