Crystallography Open Database

Information card for entry 7231787

Preview

Coordinates	7231787.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	F4
Formula	C20 H9 Cl F N5 O S
Calculated formula	C20 H9 Cl F N5 O S
Title of publication	l-Proline catalyzed one-pot synthesis of polysubstituted pyridine system incorporating benzothiazole moiety via sustainable sonochemical approach
Authors of publication	Ibrahim, Hamada Mohamed; Ahmed Arafa, Wael Abdelgayed; Behbehani, Haider
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	66
Pages of publication	37606
a	6.6752 ± 0.0003 Å
b	11.0006 ± 0.0006 Å
c	13.2731 ± 0.0008 Å
α	67.007 ± 0.003°
β	80.203 ± 0.003°
γ	85.509 ± 0.003°
Cell volume	884.07 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1279
Weighted residual factors for all reflections included in the refinement	0.1405
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211883 (current)	2018-11-10	cif/ Adding structures of 7231784, 7231785, 7231786, 7231787 via cif-deposit CGI script.	7231787.cif