Crystallography Open Database

Information card for entry 2238793

Preview

Coordinates	2238793.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-Methoxy-<i>N</i>-[(4-methylphenyl)sulfonyl]benzamide
Formula	C15 H15 N O4 S
Calculated formula	C15 H15 N O4 S
Title of publication	4-Methoxy-<i>N</i>-[(4-methylphenyl)sulfonyl]benzamide including an unknown solvate
Authors of publication	Sreenivasa, Swamy; Palakshamurthy, Bandrehalli Siddagangaiah; Tonannavar, Jagdish; Jayashree, Yenagi; Sudha, Achar Gurumurthy; Suchetan, Parameshwar Adimoole
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	o1664 - o1665
a	27.1686 ± 0.0016 Å
b	27.1686 ± 0.0016 Å
c	10.8594 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	6941.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238793.cif
91210	2013-12-09	cif/ Adding structures of 2238793 via cif-deposit CGI script.	2238793.cif