Crystallography Open Database

Information card for entry 8105577

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Coordinates	8105577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.5 H23 F N2 O2 S
Calculated formula	C23.5 H23 F N2 O2 S
Title of publication	Crystal structure of 2-(4-fluorophenyl)-N-phenyl-2-(phenylamino)ethanesulfonamide – toluene (1/0.5), C23.5H23FN2O2S
Authors of publication	Naicker, Tricia; Brasil, Edikarlos; Samipillai, Marivel; Govender, Thavendran; Baijnath, Sooraj
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	234
Journal issue	1
Pages of publication	169 - 171
a	27.2594 ± 0.0019 Å
b	5.7351 ± 0.0004 Å
c	26.1139 ± 0.0018 Å
α	90°
β	102.009 ± 0.002°
γ	90°
Cell volume	3993.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.02 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
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
276432 (current)	2022-06-30	cif/ Adding structures of 8105577 via cif-deposit CGI script.	8105577.cif