Crystallography Open Database

Information card for entry 7243193

Preview

Coordinates	7243193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 N4 O5 S
Calculated formula	C30 H32 N4 O5 S
SMILES	S(c1c(C(=O)NC)cccc1)c1ccc2c(n[nH]c2c1)/C=C/c1ncccc1.O=C(O)CCCCCCC(=O)O
Title of publication	Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior
Authors of publication	Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	32
Pages of publication	5504 - 5515
a	7.938 ± 0.0002 Å
b	13.3534 ± 0.0002 Å
c	14.1943 ± 0.0002 Å
α	112.959 ± 0.002°
β	92.287 ± 0.002°
γ	96.766 ± 0.001°
Cell volume	1369.67 ± 0.05 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0536
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1438
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268652 (current)	2021-09-06	cif/ Updating files of 7243193, 7243194, 7243195 Original log message: Adding full bibliography for 7243193--7243195.cif.	7243193.cif
267477	2021-07-13	cif/ Adding structures of 7243193, 7243194, 7243195 via cif-deposit CGI script.	7243193.cif