Crystallography Open Database

Information card for entry 7243659

Preview

Coordinates	7243659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 N7 O2 S
Calculated formula	C21 H23 N7 O2 S
SMILES	S(=O)(=O)(N)c1cc(Nc2nc(N(c3cc4c(c(n(C)n4)C)cc3)C)ccn2)ccc1C
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	7.3361 ± 0.0004 Å
b	11.8575 ± 0.0007 Å
c	12.8075 ± 0.0008 Å
α	70.641 ± 0.002°
β	78.588 ± 0.002°
γ	76.401 ± 0.002°
Cell volume	1012.86 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.95 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	0.1237
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.1675
Weighted residual factors for all reflections included in the refinement	0.1936
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
269540 (current)	2021-10-04	cif/ Adding structures of 7243659, 7243660, 7243661, 7243662, 7243663, 7243664, 7243665, 7243666, 7243667, 7243668 via cif-deposit CGI script.	7243659.cif