Crystallography Open Database

Information card for entry 4510205

Preview

Coordinates	4510205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N3 O7 S
Calculated formula	C14 H12 N3 O7 S
Title of publication	Nitazoxanide Cocrystals in Combination with Succinic, Glutaric, and 2,5-Dihydroxybenzoic Acid
Authors of publication	Félix-Sonda, Brenda C.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1086
a	16.77 ± 0.005 Å
b	5.0216 ± 0.0015 Å
c	23.582 ± 0.008 Å
α	90°
β	128.077 ± 0.006°
γ	90°
Cell volume	1563.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1079
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.1494
Weighted residual factors for all reflections included in the refinement	0.1658
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
179649 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/02.	4510205.cif
106425	2014-03-15	cif/ Adding structures of 4510205 via cif-deposit CGI script.	4510205.cif