Crystallography Open Database

Information card for entry 7246991

Preview

Coordinates	7246991.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazol-2-amine
Formula	C15 H13 N3 O
Calculated formula	C15 H13 N3 O
SMILES	o1c(Nc2c(C)cccc2)nnc1c1ccccc1
Title of publication	Therapeutic potential of 1,3,4-oxadiazoles as potential lead compounds for the treatment of Alzheimer's disease.
Authors of publication	Naseem, Saira; Temirak, Ahmed; Imran, Aqeel; Jalil, Saquib; Fatima, Shamool; Taslimi, Parham; Iqbal, Jamshed; Tasleem, Mussarat; Tahir, Muhammad Nawaz; Shafiq, Zahid
Journal of publication	RSC advances
Year of publication	2023
Journal volume	13
Journal issue	26
Pages of publication	17526 - 17535
a	8.5156 ± 0.0016 Å
b	7.2615 ± 0.0015 Å
c	20.971 ± 0.004 Å
α	90°
β	93.424 ± 0.009°
γ	90°
Cell volume	1294.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.16
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
284817 (current)	2023-07-05	cif/ Adding structures of 7246991 via cif-deposit CGI script.	7246991.cif