Crystallography Open Database

Information card for entry 2238746

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Structure parameters

Chemical name	<i>N</i>-(3-Chloro-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide
Formula	C14 H12 Cl N3 O3 S
Calculated formula	C14 H12 Cl N3 O3 S
SMILES	c1(ccc2c(c1)c(n[nH]2)Cl)NS(=O)(=O)c1ccc(cc1)OC
Title of publication	<i>N</i>-(3-Chloro-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide
Authors of publication	Chicha, Hakima; Rakib, El Mostapha; Bouissane, Latifa; Saadi, Mohamed; El Ammari, Lahcen
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	o1632
a	16.1229 ± 0.0005 Å
b	10.0562 ± 0.0003 Å
c	9.7955 ± 0.0002 Å
α	90°
β	105.388 ± 0.001°
γ	90°
Cell volume	1531.26 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0474
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2238746.cif
176798	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.	2238746.cif
91154	2013-12-09	cif/ Adding structures of 2238746 via cif-deposit CGI script.	2238746.cif