Crystallography Open Database

Information card for entry 2023196

2023195 << 2023196 >> 2023197

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Coordinates	2023196.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>-(3-Methoxyphenyl)-<i>N</i>-{[1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}acetamide
Formula	C24 H22 N2 O4 S
Calculated formula	C24 H22 N2 O4 S
SMILES	c12ccccc1cc(CN(c1cc(ccc1)OC)C(=O)C)n2S(=O)(=O)c1ccccc1
Title of publication	The crystal structure determination and Hirshfeld surface analysis of N-acetyl-N-3-methoxyphenyl and N-phenylsulfonyl-N-(2,5-dimethoxyphenyl) derivatives of [1-(phenylsulfonyl)-1H-indol-2-yl]methanamine
Authors of publication	Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	8
a	13.6698 ± 0.0017 Å
b	19.781 ± 0.002 Å
c	8.1056 ± 0.001 Å
α	90°
β	99.388 ± 0.008°
γ	90°
Cell volume	2162.4 ± 0.4 Å³
Cell temperature	305 ± 2 K
Ambient diffraction temperature	305 ± 2 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
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.1785
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
293351 (current)	2024-07-10	cif/ Adding structures of 2023196, 2023197 via cif-deposit CGI script.	2023196.cif