Crystallography Open Database

Information card for entry 4516511

Preview

Coordinates	4516511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H34 Cl2 N7 O10 S2
Calculated formula	C39 H34 Cl2 N7 O10 S2
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	10.2035 ± 0.0002 Å
b	14.0538 ± 0.0003 Å
c	15.1873 ± 0.0003 Å
α	107.16 ± 0.001°
β	107.305 ± 0.001°
γ	91.432 ± 0.001°
Cell volume	1971.46 ± 0.07 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	0.0557
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	2.563
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
231349 (current)	2019-11-22	cif/ Adding structures of 4516509, 4516510, 4516511, 4516512 via cif-deposit CGI script.	4516511.cif