Crystallography Open Database

Information card for entry 8103226

Preview

Coordinates	8103226.cif

Structure parameters

Formula	C15 H12 Cl2 N2 O3
Calculated formula	C15 H12 Cl2 N2 O3
SMILES	Clc1c(O)c(/C=N/NC(=O)c2c(OC)cccc2)cc(Cl)c1
Title of publication	Crystal structure of 2-methoxy-N'-(3,5-dichloro-2-hydroxybenzylidene)benzohydrazide, C15H12Cl2N2O3
Authors of publication	Zhe Hong; Xiao-Xu Xu; Yan Yu; Peng Liang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	599
a	10.8451 ± 0.0019 Å
b	12.773 ± 0.002 Å
c	10.8527 ± 0.0017 Å
α	90°
β	96.688 ± 0.002°
γ	90°
Cell volume	1493.1 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103226.cif
176728	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.	8103226.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103226.cif
32568	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103226 via cif-deposit CGI script.	8103226.cif