Crystallography Open Database

Information card for entry 7248121

Preview

Coordinates	7248121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 N2 O
Calculated formula	C17 H20 N2 O
SMILES	N(c1c2c(cccc2)ccc1)C(=O)[C@H](N1CCCC1)C
Title of publication	Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes
Authors of publication	Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	8
Pages of publication	5222 - 5233
a	4.763 ± 0.007 Å
b	10.544 ± 0.016 Å
c	15.14 ± 0.02 Å
α	90°
β	96.49 ± 0.04°
γ	90°
Cell volume	755.5 ± 1.9 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.3128
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1474
Goodness-of-fit parameter for all reflections included in the refinement	0.87
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
289780 (current)	2024-02-10	cif/ Adding structures of 7248120, 7248121, 7248122, 7248123 via cif-deposit CGI script.	7248121.cif