Crystallography Open Database

Information card for entry 2023148

2023147 << 2023148 >> 2023149

Preview

Coordinates	2023148.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-[(<i>E</i>)-2-(2-Bromophenyl)ethenyl]-3-methyl-1-(phenylsulfonyl)-1<i>H</i>-indole
Formula	C23 H18 Br N O2 S
Calculated formula	C23 H18 Br N O2 S
SMILES	c12ccccc1c(c(/C=C/c1ccccc1Br)n2S(=O)(=O)c1ccccc1)C
Title of publication	The crystal structures and Hirshfeld surface analysis of three new bromo-substituted 3-methyl-1-(phenylsulfonyl)-1H-indole derivatives
Authors of publication	Madhan, S.; NizamMohideen, M.; Harikrishnan, K.; MohanaKrishnan, Arasambattu K.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	6
Pages of publication	682 - 690
a	12.553 ± 0.0008 Å
b	8.3533 ± 0.0005 Å
c	19.7698 ± 0.0011 Å
α	90°
β	107.078 ± 0.002°
γ	90°
Cell volume	1981.6 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0495
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
292158 (current)	2024-06-01	cif/ Adding structures of 2023146, 2023147, 2023148 via cif-deposit CGI script.	2023148.cif