Crystallography Open Database

Information card for entry 8103135

Preview

Coordinates	8103135.cif

Structure parameters

Formula	C16 H14 N2
Calculated formula	C16 H14 N2
Title of publication	Crystal structure of 2-(2-naphthyl)-4,6-dimethylpyrimidine, C16H14N2
Authors of publication	Li-Ming Qiang; Jun-Ling Si; Xin-Ming Dong; Xin-Qi Hao; Kui Lu; Yu-Fen Zhao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	333
a	8.3871 ± 0.0014 Å
b	17.453 ± 0.003 Å
c	8.6943 ± 0.0014 Å
α	90°
β	93.092 ± 0.002°
γ	90°
Cell volume	1270.8 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0796
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	8103135.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.	8103135.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103135.cif
29099	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103135 via cif-deposit CGI script.	8103135.cif