Crystallography Open Database

Information card for entry 1545483

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Structure parameters

Chemical name	(4<i>Z</i>)-4-[1-(2-Aminoanilino)ethylidene]-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one
Formula	C18 H18 N4 O
Calculated formula	C18 H18 N4 O
SMILES	O=C1N(N=C(/C1=C(/Nc1c(N)cccc1)C)C)c1ccccc1
Title of publication	(4<i>Z</i>)-4-[1-(2-Aminoanilino)ethylidene]-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one
Authors of publication	Samba, Mohamed; Djerrari, Bahia; Minnih, Mohamed Said; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.
Journal of publication	IUCrData
Year of publication	2017
Journal volume	2
Journal issue	2
Pages of publication	x170256
a	8.6575 ± 0.0002 Å
b	7.1749 ± 0.0001 Å
c	25.3062 ± 0.0005 Å
α	90°
β	93.782 ± 0.001°
γ	90°
Cell volume	1568.51 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0453
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
193945 (current)	2017-03-05	cif/ hkl/ Adding structures of 1545483 via cif-deposit CGI script.	1545483.cif 1545483.hkl