Crystallography Open Database

Information card for entry 2238880

Preview

Coordinates	2238880.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>-(1-Allyl-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide
Formula	C17 H17 N3 O2 S
Calculated formula	C17 H17 N3 O2 S
SMILES	C=CCn1ncc2c1ccc(c2)NS(=O)(=O)c1ccc(cc1)C
Title of publication	<i>N</i>-(1-Allyl-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide
Authors of publication	Chicha, Hakima; Rakib, El Mostapha; Abderrafia, Hafid; Saadi, Mohamed; El Ammari, Lahcen
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	o1847
a	8.82 ± 0.0004 Å
b	10.4769 ± 0.0005 Å
c	19.7407 ± 0.001 Å
α	80.211 ± 0.001°
β	78.984 ± 0.001°
γ	69.784 ± 0.001°
Cell volume	1669.51 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2238880.cif
92216	2014-01-12	cif/ Adding structures of 2238880 via cif-deposit CGI script.	2238880.cif