Crystallography Open Database

Information card for entry 8103090

Preview

Coordinates	8103090.cif

Structure parameters

Chemical name	3-chloro-<i>N'</i>-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide methanol solvate, C~14~H~9~ClI~2~N~2~O~2~.CH~3~OH
Formula	C15 H13 Cl I2 N2 O3
Calculated formula	C15 H13 Cl I2 N2 O3
SMILES	Ic1cc(I)c(O)c(c1)/C=N/NC(=O)c1cc(Cl)ccc1.OC
Title of publication	Crystal structure of 3-chloro-N'-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide methanol solvate, C14H9ClI2N2O2 · 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	13
a	9.0569 ± 0.0015 Å
b	9.4784 ± 0.0016 Å
c	11.3428 ± 0.0019 Å
α	95.6 ± 0.002°
β	109.723 ± 0.002°
γ	98.84 ± 0.002°
Cell volume	893.9 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	8103090.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103090.cif
29008	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103090 via cif-deposit CGI script.	8103090.cif