Crystallography Open Database

Information card for entry 2023093

2023092 << 2023093 >> 2023094

Preview

Coordinates	2023093.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>Z</i>)-4-({[2-(Benzo[<i>b</i>]thiophen-3-yl)cyclopent-1-en-1-yl]methyl}(phenyl)amino)-4-oxobut-2-enoic acid
Formula	C24 H21 N O3 S
Calculated formula	C24 H21 N O3 S
Title of publication	Crystal structure and Hirshfeld surface analysis of (Z)-4-({[2-(benzo[b]thiophen-3-yl)cyclopent-1-en-1-yl]methyl}(phenyl)amino)-4-oxobut-2-enoic acid
Authors of publication	Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Grigoriev, Mikhail S.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Akkurt, Mehmet; Bhattarai, Ajaya
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	5
a	9.427 ± 0.0005 Å
b	9.4386 ± 0.0004 Å
c	12.3849 ± 0.0007 Å
α	95.392 ± 0.003°
β	96.849 ± 0.003°
γ	106.512 ± 0.003°
Cell volume	1039.49 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1126
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
291379 (current)	2024-04-27	cif/ Adding structures of 2023093 via cif-deposit CGI script.	2023093.cif