Crystallography Open Database

Information card for entry 2241241

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Structure parameters

Chemical name	<i>N</i>'-Diphenylmethylidene-5-methyl-1<i>H</i>-pyrazole-3-carbohydrazide
Formula	C18 H16 N4 O
Calculated formula	C18 H16 N4 O
SMILES	Cc1cc(C(=O)NN=C(c2ccccc2)c2ccccc2)n[nH]1
Title of publication	Crystal structure of <i>N</i>'-diphenylmethylidene-5-methyl-1<i>H</i>-pyrazole-3-carbohydrazide
Authors of publication	Karrouchi, Khalid; Ansar, M'hammed; Radi, Smaail; Saadi, Mohamed; El Ammari, Lahcen
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	11
Pages of publication	o890 - o891
a	11.0299 ± 0.0002 Å
b	14.1131 ± 0.0002 Å
c	20.2211 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3147.74 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181913 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12.	2241241.cif 2241241.hkl
169834	2015-10-29	cif/ hkl/ Adding structures of 2241241 via cif-deposit CGI script.	2241241.cif 2241241.hkl