Crystallography Open Database

Information card for entry 2238623

Preview

Coordinates	2238623.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>-(1-Allyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide hemihydrate
Formula	C34 H36 N6 O7 S2
Calculated formula	C34 H36 N6 O7 S2
Title of publication	<i>N</i>-(1-Allyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide hemihydrate
Authors of publication	Chicha, Hakima; Rakib, El Mostapha; Geffken, Detlef; Saadi, Mohamed; El Ammari, Lahcen
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	o1589 - o1590
a	8.2099 ± 0.0007 Å
b	13.8928 ± 0.0012 Å
c	15.0495 ± 0.0014 Å
α	90°
β	92.327 ± 0.003°
γ	90°
Cell volume	1715.1 ± 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	2238623.cif
89565	2013-11-06	cif/ Adding structures of 2238623 via cif-deposit CGI script.	2238623.cif