Crystallography Open Database

Information card for entry 2238874

Preview

Coordinates	2238874.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>'-[(<i>E</i>)-5-Bromo-2-hydroxy-3-methoxybenzylidene]benzohydrazide monohydrate
Formula	C15 H15 Br N2 O4
Calculated formula	C15 H15 Br N2 O4
SMILES	COc1cc(Br)cc(c1O)/C=N/NC(=O)c1ccccc1.O
Title of publication	<i>N</i>'-[(<i>E</i>)-5-Bromo-2-hydroxy-3-methoxybenzylidene]benzohydrazide monohydrate
Authors of publication	Emmanuel, Jessy; Sithambaresan, M.; Kurup, M. R. Prathapachandra
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	o1775 - o1776
a	4.7223 ± 0.0005 Å
b	13.9357 ± 0.0017 Å
c	23.028 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1515.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	0.888
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	2238874.cif
92198	2014-01-12	cif/ Adding structures of 2238874 via cif-deposit CGI script.	2238874.cif