Crystallography Open Database

Information card for entry 8103077

Preview

Coordinates	8103077.cif

Structure parameters

Chemical name	2-chloro-<i>N'</i>-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide, C~14~H~9~ClI~2~N~2~O~2~
Formula	C14 H9 Cl I2 N2 O2
Calculated formula	C14 H9 Cl I2 N2 O2
SMILES	Ic1c(O)c(cc(I)c1)/C=N/NC(=O)c1c(Cl)cccc1
Title of publication	Crystal structure of 2-chloro-N'-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide, C14H9ClI2N2O2
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	85
a	14.405 ± 0.003 Å
b	11.55 ± 0.003 Å
c	9.807 ± 0.002 Å
α	90°
β	90.34 ± 0.002°
γ	90°
Cell volume	1631.6 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0741
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	8103077.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103077.cif
28982	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103077 via cif-deposit CGI script.	8103077.cif