Crystallography Open Database

Information card for entry 8103080

Preview

Coordinates	8103080.cif

Structure parameters

Chemical name	N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide
Formula	C13 H9 Cl2 N3 O2
Calculated formula	C13 H9 Cl2 N3 O2
SMILES	Clc1cc(/C=N/NC(=O)c2ccncc2)c(O)c(Cl)c1
Title of publication	Crystal structure of N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide, C13H9Cl2N3O2
Authors of publication	Jun Xu; You-Qin Shu; Ping Hu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	63
a	8.0607 ± 0.0001 Å
b	10.7551 ± 0.0002 Å
c	15.6323 ± 0.0002 Å
α	90°
β	90.894 ± 0.001°
γ	90°
Cell volume	1355.06 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0432
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0941
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.	8103080.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103080.cif
28988	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103080 via cif-deposit CGI script.	8103080.cif