Crystallography Open Database

Information card for entry 8105323

Preview

Coordinates	8105323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H17 Br F N3 S
Calculated formula	C25 H17 Br F N3 S
Title of publication	The crystal structure of 2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-8H-indeno[1,2-d]thiazole, C25H17BrFN3S
Authors of publication	Alotaibi, Abdullah A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	4
Pages of publication	897 - 899
a	11.2926 ± 0.0006 Å
b	11.5832 ± 0.0004 Å
c	16.9974 ± 0.0009 Å
α	109.211 ± 0.004°
β	90.211 ± 0.004°
γ	95.29 ± 0.004°
Cell volume	2089.21 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1114
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
275579 (current)	2022-05-20	cif/ Adding structures of 8105323 via cif-deposit CGI script.	8105323.cif