Crystallography Open Database

Information card for entry 8105143

Preview

Coordinates	8105143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 F N3 O2 S
Calculated formula	C28 H20 F N3 O2 S
Title of publication	Crystal structure of 3-(2-(5-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4-yl)-2H-chromen-2-one, C28H20FN3O2S
Authors of publication	Alotibi, Mohammed F.; Abdel-Wahab, Bakr F.; Yousif, Emad; 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	2
Pages of publication	469 - 471
a	9.1325 ± 0.0007 Å
b	11.5184 ± 0.0009 Å
c	11.6535 ± 0.0009 Å
α	74.682 ± 0.007°
β	84.253 ± 0.006°
γ	76.72 ± 0.007°
Cell volume	1149.67 ± 0.16 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	0.1025
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1438
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
274886 (current)	2022-05-04	cif/ Adding structures of 8105143 via cif-deposit CGI script.	8105143.cif