Crystallography Open Database

Information card for entry 7212664

Preview

Coordinates	7212664.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mmo
Formula	C13 H12 N2 O
Calculated formula	C13 H12 N2 O
Title of publication	Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides
Authors of publication	Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	3080
a	5.148 ± 0.0003 Å
b	13.9239 ± 0.0014 Å
c	15.0042 ± 0.0013 Å
α	90°
β	98 ± 0.005°
γ	90°
Cell volume	1065.04 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.1358
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1544
Weighted residual factors for all reflections included in the refinement	0.1954
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
180457 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/26.	7212664.cif
93196	2014-01-12	cif/ Adding structures of 7212657, 7212658, 7212659, 7212660, 7212661, 7212662, 7212663, 7212664, 7212665 via cif-deposit CGI script.	7212664.cif