Crystallography Open Database

Information card for entry 7249107

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Coordinates	7249107.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Niclosamide dioxane solvate 2
Formula	C32 H28 Cl4 N4 O11
Calculated formula	C32 H28 Cl4 N4 O11
Title of publication	Why does the niclosamide drug form solvates or hydrates?
Authors of publication	Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	32
Pages of publication	4313 - 4328
a	11.4503 ± 0.0005 Å
b	12.5985 ± 0.0005 Å
c	14.5875 ± 0.0007 Å
α	66.0849 ± 0.0014°
β	87.5929 ± 0.0015°
γ	64.4525 ± 0.0012°
Cell volume	1712.94 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1031
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.1671
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	Yes
Has F_obs	No

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