Crystallography Open Database

Information card for entry 4509172

Preview

Coordinates	4509172.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ethyl methyl 4-(2,3-dichlorophenyl)-1,4-dihydro -2,6-dimethyl-3,5-pyridinedicarboxylate formamide
Formula	C19 H22 Cl2 N2 O5
Calculated formula	C19 H22 Cl2 N2 O5
SMILES	Clc1c(C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OCC)cccc1Cl.O=CN
Title of publication	Polymorph Control of Felodipine Form II in an Attempted Cocrystallization
Authors of publication	Lou, Benyong; Velaga, Sitaram P.
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	3
Pages of publication	1254
a	9.636 ± 0.0019 Å
b	11.335 ± 0.002 Å
c	11.685 ± 0.002 Å
α	100.99 ± 0.03°
β	112.09 ± 0.03°
γ	107.52 ± 0.03°
Cell volume	1059 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0692
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1872
Weighted residual factors for all reflections included in the refinement	0.1978
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	4509172.cif
97157	2014-01-29	cif/ Adding structures of 4509172 via cif-deposit CGI script.	4509172.cif