Crystallography Open Database

Information card for entry 7251391

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Coordinates	7251391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cl N3 O5 S
Calculated formula	C18 H18 Cl N3 O5 S
Title of publication	Exploring Desolvation-Driven Polymorph Formation via Multicomponent Crystals of Furosemide
Authors of publication	Nomnganga, Yamkela; Oluwole, David O.; Venter, Gerhard A.; Benyei, Attila; Bathori, Nikoletta B.
Journal of publication	CrystEngComm
Year of publication	2025
a	8.4206 ± 0.0005 Å
b	10.9902 ± 0.0007 Å
c	12.1116 ± 0.0008 Å
α	63.633 ± 0.001°
β	70.787 ± 0.001°
γ	78.213 ± 0.001°
Cell volume	946.08 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0327
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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