Crystallography Open Database

Information card for entry 1548352

Preview

Coordinates	1548352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Cl N6 O7 S
Calculated formula	C20 H18 Cl N6 O7 S
SMILES	Clc1c(S(=O)(=O)N)cc(c(NCc2occc2)c1)C(=O)O.O=C1N(C)C(=O)N(C)c2ncn(c12)C
Title of publication	Novel furosemide cocrystals and selection of high solubility drug forms
Authors of publication	N. Rajesh Goud; Swarupa Gangavaram; Kuthuru Suresh; Sharmistha Pal; Sulur G. Manjunatha; Sudhir Nambiar; Ashwini Nangia
Journal of publication	Journal of Pharmaceutical Sciences
Year of publication	2012
Journal volume	101
Pages of publication	664 - 680
a	7.512 ± 0.002 Å
b	9.462 ± 0.003 Å
c	17.198 ± 0.005 Å
α	95.387 ± 0.005°
β	102.271 ± 0.005°
γ	110.101 ± 0.005°
Cell volume	1103 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1782
Weighted residual factors for all reflections included in the refinement	0.1874
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
203864 (current)	2017-12-01	cif/ Adding structures of 1548352 via cif-deposit CGI script.	1548352.cif