Crystallography Open Database

Information card for entry 7200784

7200783 << 7200784 >> 7200785

Preview

Coordinates	7200784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 N2 O
Calculated formula	C13 H12 N2 O
SMILES	n1ccc(cc1)C(=N\c1ccc(O)cc1)\C
Title of publication	A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors
Authors of publication	Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	7
Pages of publication	1433
a	10.8998 ± 0.0005 Å
b	11.4338 ± 0.0004 Å
c	17.9406 ± 0.0005 Å
α	90°
β	92.393 ± 0.005°
γ	90°
Cell volume	2233.92 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0478
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180338 (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 7/20/07.	7200784.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200784.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200784.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200784.cif