Crystallography Open Database

Information card for entry 8107115

Preview

Coordinates	8107115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 Cl N4
Calculated formula	C19 H17 Cl N4
SMILES	c1(ccc(cc1)/C=N/NC1=C(CN(C1)c1ccc(cc1)C)C#N)Cl
Title of publication	Crystal structure of (Z)-4-((E)-(4-chlorobenzyli-dene)hydrazono)-1-p-tolylpyrrolidine-3-carbonitrile, C19H17ClN4
Authors of publication	El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Hegazy, Amany S.; Kariuki, Benson M.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1109 - 1110
a	6.9042 ± 0.0005 Å
b	7.199 ± 0.0005 Å
c	18.2633 ± 0.0013 Å
α	86.727 ± 0.006°
β	79.214 ± 0.006°
γ	69.876 ± 0.007°
Cell volume	837.24 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1062
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
282936 (current)	2023-05-02	cif/ Adding structures of 8107115 via cif-deposit CGI script.	8107115.cif