Crystallography Open Database

Information card for entry 8103089

Preview

Coordinates	8103089.cif

Structure parameters

Chemical name	2-chloro-<i>N'</i>-(2-methoxybenzylidene)benzohydrazide, C~15~H~13~ClN~2~O~2~
Formula	C15 H13 Cl N2 O2
Calculated formula	C15 H13 Cl N2 O2
SMILES	Clc1c(C(=O)NN=Cc2c(OC)cccc2)cccc1
Title of publication	Crystal structure of 2-chloro-N'-(2-methoxy- benzylidene)benzohydrazide, C15H13ClN2O2
Authors of publication	Yu-Mei Hao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	11
a	4.9555 ± 0.001 Å
b	11.54 ± 0.002 Å
c	12.782 ± 0.003 Å
α	107.587 ± 0.002°
β	95.724 ± 0.002°
γ	93.646 ± 0.002°
Cell volume	689.9 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	8103089.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103089.cif
29006	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103089 via cif-deposit CGI script.	8103089.cif