Crystallography Open Database

Information card for entry 8107003

Preview

Coordinates	8107003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Cl F N3 O
Calculated formula	C18 H15 Cl F N3 O
Title of publication	Crystal structure of 4-[(E)-(2-chloro-6-fluorobenzylidene)amino]-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one, C18H15ClFN3O
Authors of publication	Aljohar, Haya I.; Ghabbour, Hazem A.; Al-Tamimi, Abdul-Malek S.; AlRabiah, Haitham; El-Emam, Ali A.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	777 - 780
a	7.5459 ± 0.0003 Å
b	25.4267 ± 0.0009 Å
c	17.0478 ± 0.0006 Å
α	90°
β	91.718 ± 0.002°
γ	90°
Cell volume	3269.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1696
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
282210 (current)	2023-04-03	cif/ Adding structures of 8107003 via cif-deposit CGI script.	8107003.cif