Crystallography Open Database

Information card for entry 7218791

Preview

Coordinates	7218791.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(2-phenoxy-4(4-phenyl-1H-1,2,3-triazole-1-yl)phenyl)methanesulfonamide
Formula	C21 H18 N4 O3 S
Calculated formula	C21 H18 N4 O3 S
Title of publication	Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly
Authors of publication	Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	4
Pages of publication	764
a	20.6425 ± 0.0014 Å
b	8.8968 ± 0.0006 Å
c	11.2958 ± 0.001 Å
α	90°
β	104.4 ± 0.004°
γ	90°
Cell volume	2009.3 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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
RFsqd	0.09093
Goodness-of-fit parameter for all reflections	1.22
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180518 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/87.	7218791.cif
133134	2015-03-06	cif/ Updating files of 7218791, 7218792, 7218793 Original log message: Adding full bibliography for 7218791--7218793.cif.	7218791.cif
127531	2014-11-20	cif/ Adding structures of 7218791, 7218792, 7218793 via cif-deposit CGI script.	7218791.cif