Crystallography Open Database

Information card for entry 7249106

Preview

Coordinates	7249106.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Niclosamide dioxane solvate 1
Formula	C15 H12 Cl2 N2 O5
Calculated formula	C15 H12 Cl2 N2 O5
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	7.5264 ± 0.001 Å
b	9.7054 ± 0.0012 Å
c	11.9792 ± 0.0014 Å
α	69.028 ± 0.004°
β	85.313 ± 0.004°
γ	77.701 ± 0.004°
Cell volume	798.31 ± 0.17 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	0.1041
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7249106.html