Crystallography Open Database

Information card for entry 8102313

Preview

Coordinates	8102313.cif

Structure parameters

Formula	C14 H14 N2 O3
Calculated formula	C28 H28 N4 O6
Title of publication	Crystal structure of N-propionyl-N'-(3-hydroxy-2-naphthoyl)hydrazide, C14H14N2O3
Authors of publication	Yu-Ying Zheng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	3
Pages of publication	295
a	6.12 ± 0.0012 Å
b	23.273 ± 0.005 Å
c	8.656 ± 0.0017 Å
α	90°
β	100.454 ± 0.005°
γ	90°
Cell volume	1212.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1923
Weighted residual factors for all reflections included in the refinement	0.2319
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102313.cif
176728	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.	8102313.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102313.cif
13052	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102313 via cif-deposit CGI script.	8102313.cif