Crystallography Open Database

Information card for entry 7156264

Preview

Coordinates	7156264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Cl N4
Calculated formula	C15 H15 Cl N4
Title of publication	Copper-catalyzed ambient-temperature decarboxylative annulation of isatins with amidine hydrochlorides: a facile access to 2-(1,3,5-triazin-2-yl)aniline derivatives.
Authors of publication	Jia, Feng-Cheng; Xu, Cheng; Wang, Yu-Wei; Chen, Zhi-Peng; Chen, Yun-Feng; Wu, An-Xin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	23
Pages of publication	4223 - 4226
a	10.585 ± 0.002 Å
b	8.8309 ± 0.0018 Å
c	15.039 ± 0.003 Å
α	90°
β	96.741 ± 0.003°
γ	90°
Cell volume	1396.1 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1829
Weighted residual factors for all reflections included in the refinement	0.2028
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
230830 (current)	2019-11-17	cif/ Updating files of 7156264 Original log message: Adding full bibliography for 7156264.cif.	7156264.cif
207818	2018-05-16	cif/ Adding structures of 7156264 via cif-deposit CGI script.	7156264.cif