Crystallography Open Database

Information card for entry 1506409

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Structure parameters

Chemical name	1-N-methyl-2-(phenylazo)imidazole
Formula	C10 H10 N4
Calculated formula	C10 H10 N4
SMILES	N(=Nc1n(ccn1)C)c1ccccc1
Title of publication	Photochromism of 2-(phenylazo)imidazoles.
Authors of publication	Otsuki, Joe; Suwa, Kazuya; Narutaki, Koichi; Sinha, Chittaranjan; Yoshikawa, Isao; Araki, Koji
Journal of publication	The journal of physical chemistry. A
Year of publication	2005
Journal volume	109
Journal issue	35
Pages of publication	8064 - 8069
a	6.67 ± 0.001 Å
b	11.506 ± 0.002 Å
c	12.975 ± 0.002 Å
α	90°
β	114.56 ± 0.05°
γ	90°
Cell volume	905.7 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
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	0.066
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1828
Weighted residual factors for all reflections included in the refinement	0.199
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506409.cif
176729	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 1.	1506409.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506409.cif
50290	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506409 via cif-deposit CGI script.	1506409.cif