Crystallography Open Database

Information card for entry 7208904

7208903 << 7208904 >> 7208905

Preview

Coordinates	7208904.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	03-03BD (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)8-COOH
Formula	C20 H26 N4 O4
Calculated formula	C20 H26 N4 O4
SMILES	n1cc(N=Nc2cnccc2)ccc1.C(=O)(O)CCCCCCCCC(=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	7.0388 ± 0.0014 Å
b	8.2451 ± 0.0018 Å
c	17.49 ± 0.004 Å
α	77.525 ± 0.014°
β	80.368 ± 0.013°
γ	85.474 ± 0.014°
Cell volume	976.1 ± 0.4 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	0.1782
Residual factor for significantly intense reflections	0.093
Weighted residual factors for significantly intense reflections	0.2017
Weighted residual factors for all reflections included in the refinement	0.2462
Goodness-of-fit parameter for all reflections included in the refinement	1.177
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.	7208904.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208904.cif
73540	2013-02-20	cif/ Adding structures of 7208901, 7208902, 7208903, 7208904, 7208905 via cif-deposit CGI script.	7208904.cif