Crystallography Open Database

Information card for entry 7206371

7206370 << 7206371 >> 7206372

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Coordinates	7206371.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NppM
Formula	C13 H12 N2 O
Calculated formula	C13 H12 N2 O
Title of publication	Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives
Authors of publication	Mocilac, Pavle; Gallagher, John F.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	17
Pages of publication	5354
a	7.7391 ± 0.0004 Å
b	5.2338 ± 0.0002 Å
c	26.9102 ± 0.0013 Å
α	90°
β	90.321 ± 0.005°
γ	90°
Cell volume	1089.98 ± 0.09 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 1 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1405
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
180394 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/63.	7206371.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206371.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206371.cif
27353	2011-10-03	../uploads/cif-deposit/cod/cif Adding structures of 7206371, 7206372, 7206373, 7206374, 7206375, 7206376, 7206377, 7206378, 7206379, 7206380, 7206381, 7206382, 7206383 via cif-deposit CGI script.	7206371.cif