Crystallography Open Database

Information card for entry 2311959

2311958 << 2311959 >> 2311960

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Structure parameters

Common name	Oxyclozanide xylene hemisolvate
Chemical name	2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide xylene hemisolvate
Formula	C17 H11 Cl5 N O3
Calculated formula	C17 H11 Cl5 N O3
Title of publication	Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.
Authors of publication	Sridhar, Balasubramanian; Ravikumar, Krishnan
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1056 - 1063
a	7.12429 ± 0.00008 Å
b	9.40484 ± 0.00011 Å
c	14.27988 ± 0.00016 Å
α	83.7014 ± 0.0005°
β	80.0916 ± 0.0005°
γ	67.8388 ± 0.0004°
Cell volume	871.84 ± 0.017 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
301809 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure.	2311959.cif
246186	2019-12-26	cif/ Adding structures of 2311958, 2311959, 2311960, 2311961 via cif-deposit CGI script.	2311959.cif