Crystallography Open Database

Information card for entry 2311960

2311959 << 2311960 >> 2311961

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Coordinates	2311960.cif
Original IUCr paper	HTML

Structure parameters

Common name	Oxyclozanide toluene hemisolvate
Chemical name	2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide toluene hemisolvate
Formula	C16.5 H10 Cl5 N O3
Calculated formula	C16.5 H10 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	6.92017 ± 0.00008 Å
b	9.71946 ± 0.00011 Å
c	13.98498 ± 0.00017 Å
α	86.3845 ± 0.0005°
β	85.4687 ± 0.0005°
γ	65.8069 ± 0.0005°
Cell volume	854.849 ± 0.018 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	0.0397
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
246186 (current)	2019-12-26	cif/ Adding structures of 2311958, 2311959, 2311960, 2311961 via cif-deposit CGI script.	2311960.cif