Crystallography Open Database

Information card for entry 7208905

7208904 << 7208905 >> 7208906

Preview

Coordinates	7208905.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	05:04BD (4-pyridyl)-N=N-(4-pyridyl), HOOC-(CH2)6-COOH
Formula	C18 H22 N4 O4
Calculated formula	C18 H22 N4 O4
SMILES	c1cc(ccn1)/N=N/c1ccncc1.C(=O)(O)CCCCCCC(=O)O
Title of publication	Interdependence of structure and physical properties in co-crystals of azopyridines
Authors of publication	Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	3
Pages of publication	463
a	5.8269 ± 0.0006 Å
b	8.6817 ± 0.0008 Å
c	9.0827 ± 0.0009 Å
α	76.314 ± 0.006°
β	87.963 ± 0.006°
γ	77.486 ± 0.006°
Cell volume	435.76 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0767
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
180420 (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 7/20/89.	7208905.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208905.cif
73540	2013-02-20	cif/ Adding structures of 7208901, 7208902, 7208903, 7208904, 7208905 via cif-deposit CGI script.	7208905.cif