Crystallography Open Database

Information card for entry 4516512

Preview

Coordinates	4516512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 Cl N4 O5 S
Calculated formula	C17 H17 Cl N4 O5 S
Title of publication	Furosemide Cocrystals with Pyridines: An Interesting Case of Color Cocrystal Polymorphism
Authors of publication	Sangtani, Ekta; Sahu, Sanjay K.; Thorat, Shridhar H.; Gawade, Rupesh L.; Jha, Kunal K.; Munshi, Parthapratim; Gonnade, Rajesh G.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	12
Pages of publication	5858
a	8.5913 ± 0.0002 Å
b	12.9773 ± 0.0003 Å
c	17.6723 ± 0.0004 Å
α	84.436 ± 0.001°
β	84.939 ± 0.001°
γ	75.455 ± 0.001°
Cell volume	1894.01 ± 0.08 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	0.0499
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
231349 (current)	2019-11-22	cif/ Adding structures of 4516509, 4516510, 4516511, 4516512 via cif-deposit CGI script.	4516512.cif