Crystallography Open Database

Information card for entry 2023278

2023277 << 2023278 >> 2023279

Preview

Coordinates	2023278.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>,<i>N</i>-Bis{[3-bromo-1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}benzenesulfonamide
Formula	C36 H27 Br2 N3 O6 S3
Calculated formula	C36 H27 Br2 N3 O6 S3
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	8.2664 ± 0.0004 Å
b	34.7886 ± 0.0018 Å
c	12.5972 ± 0.0006 Å
α	90°
β	104.55 ± 0.002°
γ	90°
Cell volume	3506.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0621
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
296771 (current)	2024-12-07	cif/ Updating files of 2023277, 2023278 Original log message: Adding full bibliography for 2023277--2023278.cif.	2023278.cif
295455	2024-10-12	cif/ Adding structures of 2023277, 2023278 via cif-deposit CGI script.	2023278.cif