Crystallography Open Database

Information card for entry 4504646

Preview

Coordinates	4504646.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[N-(2-pyridyl)acetamide]2, decanedioic acid
Formula	C24 H34 N4 O6
Calculated formula	C24 H34 N4 O6
SMILES	c1(ccccn1)NC(=O)C.C(=O)(O)CCCCCCCCC(=O)O.c1(ccccn1)NC(=O)C
Title of publication	2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent
Authors of publication	Aakeröy, Christer B.; Hussain, Izhar; Desper, John
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	474
a	5.3767 ± 0.0004 Å
b	6.5416 ± 0.0004 Å
c	17.0662 ± 0.0012 Å
α	92.809 ± 0.001°
β	90.247 ± 0.001°
γ	101.314 ± 0.001°
Cell volume	587.82 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0524
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179581 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/46.	4504646.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504646.cif
47453	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504640, 4504641, 4504642, 4504643, 4504644, 4504645, 4504646, 4504647 via cif-deposit CGI script.	4504646.cif