Crystallography Open Database

Information card for entry 8107083

Preview

Coordinates	8107083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 Cl F N4 O4 S
Calculated formula	C27 H24 Cl F N4 O4 S
SMILES	Clc1cc2/C(=N\NC(=O)c3[nH]c4c(c3)cc(OC)cc4)C(=O)N(Cc3ccc(F)cc3)c2cc1.S(=O)(C)C
Title of publication	Crystal structure of 5-methoxy-N′-[(3Z)-5-chloro-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C25H18ClFN4O3 · C2H6OS
Authors of publication	Haress, Nadia G.; Ghabbour, Hazem A.; Almutairi, Maha S.; Fun, Hoong-Kun; Attia, Mohamed I.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1021 - 1023
a	6.0486 ± 0.0002 Å
b	17.4704 ± 0.0007 Å
c	11.9215 ± 0.0004 Å
α	90°
β	96.327 ± 0.001°
γ	90°
Cell volume	1252.09 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
282725 (current)	2023-04-19	cif/ Adding structures of 8107083 via cif-deposit CGI script.	8107083.cif