Crystallography Open Database

Information card for entry 7052564

Preview

Coordinates	7052564.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-oxo-heptane-1,7-dioic acid 4,4'-bipyridine
Formula	C17 H18 N2 O5
Calculated formula	C17 H18 N2 O5
SMILES	C(=O)(CCC(=O)CCC(=O)O)O.c1cc(ccn1)c1ccncc1
Title of publication	The cocrystal of 4-oxopimelic acid and 4,4′-bipyridine: polymorphism and solid-state transformations
Authors of publication	Halasz, Ivan; Rubčić, Mirta; Užarević, Krunoslav; Đilović, Ivica; Meštrović, Ernest
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	1
Pages of publication	24
a	7.583 ± 0.003 Å
b	8.752 ± 0.002 Å
c	24.527 ± 0.006 Å
α	90°
β	92.29 ± 0.03°
γ	90°
Cell volume	1626.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1566
Weighted residual factors for all reflections included in the refinement	0.1765
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7052564.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052564.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052564.cif
14953	2011-03-12	../uploads/cif-deposit/cod/cif Adding structures of 7052563, 7052564 via cif-deposit CGI script.	7052564.cif