Crystallography Open Database

Information card for entry 7243296

Preview

Coordinates	7243296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H41 Co N10 O11
Calculated formula	C40 H41 Co N10 O11
SMILES	[Co](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[n+]1(ccc(c2cc[nH+]cc2)cc1)c1ccc(cc1)C(=O)[O-].[n+]1(c2ccc(cc2)C(=O)O)ccc(c2cc[nH+]cc2)cc1.O.O.O.O.O.O.O
Title of publication	Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids
Authors of publication	Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	35
Pages of publication	5994 - 6011
a	10.5802 ± 0.0008 Å
b	14.8763 ± 0.001 Å
c	15.6669 ± 0.0011 Å
α	64.083 ± 0.007°
β	86.853 ± 0.006°
γ	72.573 ± 0.007°
Cell volume	2107.8 ± 0.3 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.0885
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
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
269693 (current)	2021-10-06	cif/ Updating files of 7243295, 7243296, 7243297 Original log message: Adding full bibliography for 7243295--7243297.cif.	7243296.cif
267821	2021-07-30	cif/ Adding structures of 7243295, 7243296, 7243297 via cif-deposit CGI script.	7243296.cif