Crystallography Open Database

Information card for entry 7240996

Preview

Coordinates	7240996.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Gefitinib-mefenamic acid cocrystal
Formula	C37 H41 Cl F N5 O6
Calculated formula	C37 H41 Cl F N5 O6
SMILES	Clc1cc(Nc2ncnc3cc(c(cc23)OCCCN2CCOCC2)OC)ccc1F.C(=O)(c1ccccc1Nc1cccc(c1C)C)O.O
Title of publication	Drug-Drug Cocrystals of Anticancer Drugs Erlotinib-Furosemide and Gefitinib-Mefenamic acid for Alternative Multi-Drug Treatment
Authors of publication	P. George, Christy; Thorat, Sridhar Hanamant; Shaligram, Parth S.; Suresha, P. R.; Gonnade, Rajesh G.
Journal of publication	CrystEngComm
Year of publication	2020
a	10.9083 ± 0.0007 Å
b	7.6817 ± 0.0005 Å
c	41.588 ± 0.003 Å
α	90°
β	96.132 ± 0.004°
γ	90°
Cell volume	3464.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1272
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.1998
Weighted residual factors for all reflections included in the refinement	0.2177
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
254822 (current)	2020-08-05	cif/ Adding structures of 7240995, 7240996 via cif-deposit CGI script.	7240996.cif