Crystallography Open Database

Information card for entry 2311421

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Structure parameters

Chemical name	1-Benzenesulfonyl-2-methyl-3-[(thiophen-2-yl)carbonyl]-2,3-dihydro-1<i>H</i>-indole
Formula	C20 H15 N O3 S2
Calculated formula	C20 H15 N O3 S2
SMILES	c12ccccc1c(c(C)n2S(=O)(=O)c1ccccc1)C(=O)c1cccs1
Title of publication	Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1<i>H</i>-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1<i>H</i>-indole.
Authors of publication	Dhanalakshmi, G.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.; Aravindhan, S.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 10
Pages of publication	1555 - 1559
a	8.93 ± 0.0002 Å
b	10.8141 ± 0.0003 Å
c	18.6398 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1800.04 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301809 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure.	2311421.cif
245871	2019-12-25	cif/ Adding structures of 2311420, 2311421 via cif-deposit CGI script.	2311421.cif