Crystallography Open Database

Information card for entry 7226044

Preview

Coordinates	7226044.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5-(naphthalen-2-ylmethyl)-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione
Formula	C19 H21 N3 O S
Calculated formula	C19 H21 N3 O S
SMILES	S=C1OC(=NN1CN1CCCCC1)Cc1ccc2ccccc2c1
Title of publication	Synthesis and effects of oxadiazole derivatives on tyrosinase activity and human SK-MEL-28 malignant melanoma cells
Authors of publication	Mohd Aluwi, Mohd Fadhlizil Fasihi; Rullah, Kamal; Tan, Huan Huan; Chan, Kok Meng; Tan, Jie Si; Leong, Sze Wei; Mansor, Ahmad Hasnan; Yamin, Bohari M.; Wai, Lam Kok
Journal of publication	RSC Adv.
Year of publication	2016
a	7.0419 ± 0.0004 Å
b	8.0935 ± 0.0005 Å
c	15.4614 ± 0.0008 Å
α	85.744 ± 0.002°
β	89.568 ± 0.002°
γ	80.461 ± 0.002°
Cell volume	866.61 ± 0.09 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 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	0.094
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
184667 (current)	2016-07-26	cif/ Adding structures of 7226044 via cif-deposit CGI script.	7226044.cif