Crystallography Open Database

Information card for entry 1545384

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Structure parameters

Chemical name	2,5-Dimethoxy-<i>N</i>-phenylbenzenesulfonamide
Formula	C14 H15 N O4 S
Calculated formula	C14 H15 N O4 S
SMILES	c1(c(ccc(c1)OC)OC)S(=O)(=O)Nc1ccccc1
Title of publication	2,5-Dimethoxy-<i>N</i>-phenylbenzenesulfonamide
Authors of publication	Shakuntala, K.; Kumari, Vijaya; Lokanath, N. K.; Naveen, S.; Suchetan, P. A.
Journal of publication	IUCrData
Year of publication	2017
Journal volume	2
Journal issue	2
Pages of publication	x170311
a	10.4328 ± 0.0012 Å
b	14.3157 ± 0.0015 Å
c	10.4869 ± 0.0012 Å
α	90°
β	117.064 ± 0.006°
γ	90°
Cell volume	1394.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0756
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1767
Weighted residual factors for all reflections included in the refinement	0.1857
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
192769 (current)	2017-03-02	cif/ hkl/ Adding structures of 1545384 via cif-deposit CGI script.	1545384.cif 1545384.hkl