Crystallography Open Database

Information card for entry 8103084

Preview

Coordinates	8103084.cif

Structure parameters

Chemical name	2-chloro-<i>N'</i>-(2-hydroxy-3,5-dichlorobenzylidene)benzohydrazide methanol solvate, C~14~H~9~Cl~3~N~2~O~2~.CH~3~OH
Formula	C15 H13 Cl3 N2 O3
Calculated formula	C15 H13 Cl3 N2 O3
SMILES	Clc1c(O)c(cc(Cl)c1)/C=N/NC(=O)c1c(Cl)cccc1.OC
Title of publication	Crystal structure of 2-chloro-N'-(2-hydroxy-3,5-dichlorobenzylidene)benzohydrazide — methanol (1:1), C14H9Cl3N2O2 · CH3OH
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	47
a	11.172 ± 0.003 Å
b	9.713 ± 0.003 Å
c	15.671 ± 0.004 Å
α	90°
β	96.516 ± 0.003°
γ	90°
Cell volume	1689.5 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	8103084.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103084.cif
28996	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103084 via cif-deposit CGI script.	8103084.cif