Crystallography Open Database

Information card for entry 7247327

Preview

Coordinates	7247327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 F3 N9 O4 S
Calculated formula	C34 H32 F3 N9 O4 S
SMILES	S(=O)(=O)(c1cc(Nc2[nH+]ccc(n2)N(c2cc3nn(c(C)c3cc2)C)C)ccc1C)N.FC(F)(F)c1cc(Nc2ncccc2C(=O)[O-])ccc1
Title of publication	Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration
Authors of publication	Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	39
Pages of publication	5565 - 5574
a	9.3626 ± 0.0003 Å
b	18.0718 ± 0.0008 Å
c	19.7247 ± 0.0009 Å
α	90°
β	94.683 ± 0.001°
γ	90°
Cell volume	3326.3 ± 0.2 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	0.0678
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
287342 (current)	2023-11-06	cif/ Updating files of 7247326, 7247327, 7247328 Original log message: Adding full bibliography for 7247326--7247328.cif.	7247327.cif
286207	2023-09-06	cif/ Adding structures of 7247326, 7247327, 7247328 via cif-deposit CGI script.	7247327.cif