Crystallography Open Database

Information card for entry 1506338

Preview

Coordinates	1506338.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(2-oxo-1-phenyl-2-pyridin-4-yl-ethyl)benzamide
Formula	C20 H20 N2 O
Calculated formula	C20 H16 N2 O2
SMILES	O=C(NC(C(=O)c1ccncc1)c1ccccc1)c1ccccc1
Title of publication	A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker
Authors of publication	Li, Weiwei; Lam, Yulin
Journal of publication	Journal of Combinatorial Chemistry
Year of publication	2005
Journal volume	7
Journal issue	5
Pages of publication	644
a	8.8589 ± 0.0009 Å
b	9.5619 ± 0.0009 Å
c	11.5289 ± 0.0011 Å
α	111.301 ± 0.002°
β	90.111 ± 0.002°
γ	115.935 ± 0.002°
Cell volume	803.03 ± 0.14 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
176729 (current)	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.	1506338.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506338.cif
50005	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506336, 1506337, 1506338 via cif-deposit CGI script.	1506338.cif