Crystallography Open Database

Information card for entry 2023197

2023196 << 2023197 >> 2023198

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Coordinates	2023197.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>-(2,5-Dimethoxyphenyl)-<i>N</i>-{[1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}benzenesulfonamide
Formula	C29 H26 N2 O6 S2
Calculated formula	C29 H26 N2 O6 S2
SMILES	c12ccccc1cc(CN(c1cc(ccc1OC)OC)S(=O)(=O)c1ccccc1)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	13.463 ± 0.009 Å
b	17.193 ± 0.012 Å
c	11.532 ± 0.007 Å
α	90°
β	94.844 ± 0.019°
γ	90°
Cell volume	2660 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1454
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
293351 (current)	2024-07-10	cif/ Adding structures of 2023196, 2023197 via cif-deposit CGI script.	2023197.cif