Crystallography Open Database

Information card for entry 7243301

Preview

Coordinates	7243301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 N2 O6 S2
Calculated formula	C22 H28 N2 O6 S2
SMILES	S(=O)(=O)([O-])C[C@]12C(=O)C[C@H](CC1)C2(C)C.S(=O)(=O)(c1ccc(N)cc1)c1ccc([NH3+])cc1.S(=O)(=O)([O-])C[C@@]12C(=O)C[C@@H](CC1)C2(C)C.S(=O)(=O)(c1ccc(N)cc1)c1ccc([NH3+])cc1
Title of publication	New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid
Authors of publication	Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	35
Pages of publication	6191 - 6198
a	6.3273 ± 0.0004 Å
b	12.3383 ± 0.0007 Å
c	29.2787 ± 0.0016 Å
α	90°
β	95.255 ± 0.002°
γ	90°
Cell volume	2276.1 ± 0.2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
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	0.0943
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.1799
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	1.223
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269688 (current)	2021-10-06	cif/ Updating files of 7243301, 7243302 Original log message: Adding full bibliography for 7243301--7243302.cif.	7243301.cif
267844	2021-07-31	cif/ Adding structures of 7243301, 7243302 via cif-deposit CGI script.	7243301.cif