Crystallography Open Database

Information card for entry 8107036

Preview

Coordinates	8107036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N5 O
Calculated formula	C19 H19 N5 O
SMILES	O=C(N/N=C/c1ccc(N(C)C)cc1)c1n[nH]c(c2ccccc2)c1
Title of publication	Crystal structure of N′-(4-(dimethylamino)benzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C19H19N5O
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	883 - 886
a	11.8865 ± 0.0006 Å
b	12.6289 ± 0.0007 Å
c	13.5579 ± 0.0007 Å
α	74.552 ± 0.002°
β	83.174 ± 0.002°
γ	62.534 ± 0.002°
Cell volume	1740.56 ± 0.16 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	0.099
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1713
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
282390 (current)	2023-04-05	cif/ Adding structures of 8107036 via cif-deposit CGI script.	8107036.cif