Crystallography Open Database

Information card for entry 7215957

Preview

Coordinates	7215957.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Felodipine : 4,4'-bipyridine (1:1)
Formula	C28 H27 Cl2 N3 O4
Calculated formula	C28 H27 Cl2 N3 O4
SMILES	Clc1cccc(C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OCC)c1Cl.n1ccc(cc1)c1ccncc1
Title of publication	Polymorphism of felodipine co-crystals with 4,4′-bipyridine
Authors of publication	Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	29
Pages of publication	6603
a	7.7589 ± 0.001 Å
b	9.2634 ± 0.0012 Å
c	17.83 ± 0.002 Å
α	90.403 ± 0.008°
β	90.275 ± 0.009°
γ	97.322 ± 0.009°
Cell volume	1271 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1542
Residual factor for significantly intense reflections	0.0957
Weighted residual factors for significantly intense reflections	0.2379
Weighted residual factors for all reflections included in the refinement	0.2641
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
180490 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/59.	7215957.cif
119417	2014-07-07	cif/ Updating files of 7215957, 7215958, 7215959 Original log message: Adding full bibliography for 7215957--7215959.cif.	7215957.cif
113862	2014-05-16	cif/ Adding structures of 7215957, 7215958, 7215959 via cif-deposit CGI script.	7215957.cif