Crystallography Open Database

Information card for entry 8107022

Preview

Coordinates	8107022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 N4 O2
Calculated formula	C18 H16 N4 O2
SMILES	O=C(N/N=C/c1ccc(OC)cc1)c1n[nH]c(c2ccccc2)c1
Title of publication	Crystal structure of N′-(4-methoxybenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C18H16N4O2
Authors of publication	Karrouchi, Khalid; Radi, Smaail; Ansar, M'hammed; Taoufik, Jamal; Ghabbour, Hazem A.; Mabkhot, Yahia N.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	835 - 837
a	10.9734 ± 0.0004 Å
b	11.8835 ± 0.0005 Å
c	13.0996 ± 0.0005 Å
α	78.581 ± 0.002°
β	78.542 ± 0.001°
γ	83.725 ± 0.002°
Cell volume	1636.68 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
282376 (current)	2023-04-05	cif/ Adding structures of 8107022 via cif-deposit CGI script.	8107022.cif