Crystallography Open Database

Information card for entry 8103377

Preview

Coordinates	8103377.cif

Structure parameters

Formula	C14 H14 N2
Calculated formula	C14 H14 N2
SMILES	N(=C\Cc1ccccc1)/Nc1ccccc1
Title of publication	Crystal structure of (E)-phenylacetaldehyde phenylhydrazone, C14H14N2
Authors of publication	Xin-E Duan; Bin Jia; Hong-Bo Tong; Diansheng Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	2
Pages of publication	247
a	7.352 ± 0.005 Å
b	7.88 ± 0.006 Å
c	10.978 ± 0.008 Å
α	78.294 ± 0.008°
β	73.39 ± 0.007°
γ	81.909 ± 0.007°
Cell volume	594.5 ± 0.7 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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.	8103377.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.	8103377.cif
62138	2012-07-07	cif/ Adding structures of 8103377 via cif-deposit CGI script.	8103377.cif