Crystallography Open Database

Information card for entry 7250289

Preview

Coordinates	7250289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 N3 S
Calculated formula	C16 H15 N3 S
Title of publication	Design and development of sulfenylated 5-aminopyrazoles as inhibitors of acetylcholinesterase and butyrylcholinesterase: exploring the implication for Aβ1–42 aggregation inhibition in Alzheimer's disease
Authors of publication	Rani, Payal; Chahal, Sandhya; Ranolia, Anju; Kiran,; Kumar, Devendra; Kataria, Ramesh; Kumar, Parvin; Singh, Devender; Duhan, Anil; Jha, Vibhu; Wahajuddin, Muhammad; Joshi, Gaurav; Sindhu, Jayant
Journal of publication	RSC Medicinal Chemistry
Year of publication	2025
a	11.7569 ± 0.001 Å
b	9.4089 ± 0.0009 Å
c	26.936 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2979.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1829
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for significantly intense reflections	0.2448
Weighted residual factors for all reflections included in the refinement	0.3321
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation probe	x-ray
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
299323 (current)	2025-04-18	cif/ Adding structures of 7250289 via cif-deposit CGI script.	7250289.cif