Crystallography Open Database

Information card for entry 2231676

Preview

Coordinates	2231676.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>'-(3,5-Dibromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide methanol monosolvate
Formula	C15 H13 Br2 N3 O5
Calculated formula	C15 H13 Br2 N3 O5
SMILES	Brc1c(O)c(cc(Br)c1)/C=N/NC(=O)c1ccc(N(=O)=O)cc1.OC
Title of publication	<i>N</i>'-(3,5-Dibromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide methanol monosolvate
Authors of publication	Zhou, Xin; Gao, Shu-Tao; Ma, Jing-Jun
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	9
Pages of publication	o2275
a	7.576 ± 0.002 Å
b	13.602 ± 0.002 Å
c	17.23 ± 0.003 Å
α	90°
β	106.816 ± 0.003°
γ	90°
Cell volume	1699.6 ± 0.6 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1229
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2231676.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2231676.cif
27807	2011-10-07	../uploads/cif-deposit/cod/cif Adding structures of 2231676 via cif-deposit CGI script.	2231676.cif