Crystallography Open Database

Information card for entry 1543875

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Structure parameters

Chemical name	4-Bromo-<i>N</i>-(4-fluorophenyl)benzenesulfonamide
Formula	C12 H9 Br F N O2 S
Calculated formula	C12 H9 Br F N O2 S
SMILES	c1(ccc(cc1)S(=O)(=O)Nc1ccc(cc1)F)Br
Title of publication	4-Bromo-<i>N</i>-(4-fluorophenyl)benzenesulfonamide
Authors of publication	Rodrigues, Vinola Z.; Suchetan, P. A.; Saritha, L.; Lokanath, N. K.; Naveen, S.
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	8
Pages of publication	x161256
a	19.7608 ± 0.0006 Å
b	12.4156 ± 0.0004 Å
c	5.0776 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1245.75 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
185717 (current)	2016-08-10	cif/ hkl/ Adding structures of 1543875 via cif-deposit CGI script.	1543875.cif 1543875.hkl