Crystallography Open Database

Information card for entry 2023328

2023327 << 2023328 >> 2023329

Preview

Coordinates	2023328.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>-{[3-Bromo-1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}-<i>N</i>-(4-bromo-3-methoxyphenyl)benzenesulfonamide
Formula	C28 H22 Br2 N2 O5 S2
Calculated formula	C28 H22 Br2 N2 O5 S2
Title of publication	The crystal structures determination and Hirshfeld surface analysis of N-(4-bromo-3-methoxyphenyl)- and N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}- derivatives of N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}benzenesulfonamide
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	11
Pages of publication	1110 - 1117
a	9.5718 ± 0.0006 Å
b	14.4498 ± 0.0008 Å
c	20.0041 ± 0.0012 Å
α	90°
β	92.874 ± 0.002°
γ	90°
Cell volume	2763.3 ± 0.3 Å³
Cell temperature	303 ± 2 K
Ambient diffraction temperature	303 ± 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	0.0568
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
296745 (current)	2024-12-07	cif/ Adding structures of 2023328, 2023329 via cif-deposit CGI script.	2023328.cif