Crystallography Open Database

Information card for entry 7159025

Preview

Coordinates	7159025.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-phenylnaphtho[2,1-b]thiophen-1-amine
Formula	C18 H13 N S
Calculated formula	C18 H13 N S
SMILES	s1cc(Nc2ccccc2)c2c1ccc1c2cccc1
Title of publication	Reaction of 1-acetonaphthones with anilines and elemental sulfur: rapid construction of 1-anilinonaphtho[2,1-<i>b</i>]thiophenes.
Authors of publication	Nguyen, Hoang Yen; Tran, Thi Minh Chau; Nguyen, Van Ha; Retailleau, Pascal; Mac, Dinh Hung; Nguyen, Thanh Binh
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	3
Pages of publication	503 - 507
a	5.7573 ± 0.0003 Å
b	8.3305 ± 0.0006 Å
c	30.537 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1464.59 ± 0.16 Å³
Cell temperature	293.1 ± 1 K
Ambient diffraction temperature	293.1 ± 1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
283494 (current)	2023-05-05	cif/ Updating files of 7159025 Original log message: Adding full bibliography for 7159025.cif.	7159025.cif
279717	2022-12-06	cif/ Adding structures of 7159025 via cif-deposit CGI script.	7159025.cif