Crystallography Open Database

Information card for entry 8103166

Preview

Coordinates	8103166.cif

Structure parameters

Chemical name	N'-(2,6-dichlorobenzylidene)-4-nitrobenzohydrazide
Formula	C14 H9 Cl2 N3 O3
Calculated formula	C14 H9 Cl2 N3 O3
SMILES	Clc1c(/C=N/NC(=O)c2ccc(N(=O)=O)cc2)c(Cl)ccc1
Title of publication	Crystal structure of N'-(2,6-dichlorobenzylidene)-4-nitrobenzohydrazide, C14H9Cl2N3O3
Authors of publication	Zhi-Gang Yin; Quan-Ling Wang; Heng-Yu Qian; Chun-Xia Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	381
a	10.9601 ± 0.0016 Å
b	14.2234 ± 0.0017 Å
c	9.1485 ± 0.0012 Å
α	90°
β	92.924 ± 0.012°
γ	90°
Cell volume	1424.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0745
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103166.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103166.cif
29161	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103166 via cif-deposit CGI script.	8103166.cif