Crystallography Open Database

Information card for entry 8107118

Preview

Coordinates	8107118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 N3 O5 S
Calculated formula	C20 H23 N3 O5 S
Title of publication	Crystal structure of 4-((4,4-dimethyl-2, 6-dioxocyclohexylidine)methylamino)-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide, C20H23N3O5S
Authors of publication	Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A.; Al-Mishari, Abdullah A.; AlRuqi, Obaid S.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1117 - 1119
a	6.7503 ± 0.0002 Å
b	14.0026 ± 0.0007 Å
c	21.954 ± 0.001 Å
α	90°
β	96.892 ± 0.003°
γ	90°
Cell volume	2060.14 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1063
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
282939 (current)	2023-05-02	cif/ Adding structures of 8107118 via cif-deposit CGI script.	8107118.cif