Crystallography Open Database

Information card for entry 8107084

Preview

Coordinates	8107084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 F N4 O4 S
Calculated formula	C27 H25 F N4 O4 S
SMILES	Fc1cc2C(=N\NC(=O)c3[nH]c4ccc(OC)cc4c3)\C(=O)N(c2cc1)Cc1ccccc1.S(=O)(C)C
Title of publication	Crystal structure of 5-methoxy-N′-[(3Z)-1-benzyl-5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C27H25FN4O4S
Authors of publication	Almutairi, Maha S.; Ghabbour, Hazem A.; Haress, Nadia G.; 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	1025 - 1027
a	10.1996 ± 0.0005 Å
b	11.4836 ± 0.0006 Å
c	12.1907 ± 0.0008 Å
α	100.728 ± 0.002°
β	100.807 ± 0.002°
γ	114.612 ± 0.002°
Cell volume	1218.03 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1319
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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
282726 (current)	2023-04-19	cif/ Adding structures of 8107084 via cif-deposit CGI script.	8107084.cif