Crystallography Open Database

Information card for entry 7227366

Preview

Coordinates	7227366.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Clonidine
Chemical name	2-(2,6-dichlorophenylamino)-2-imidazoline
Formula	C9 H9 Cl2 N3
Calculated formula	C9 H9 Cl2 N3
Title of publication	Molecular structure of clonidine: gas-phase electron diffraction, single-crystal X-ray diffraction and quantum chemical studies.
Authors of publication	Kolesnikova, Inna N.; Rykov, Anatolii N.; Shishkov, Igor F.; Tafeenko, Victor A.; Aslanov, Leonid A.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2017
Journal volume	19
Journal issue	6
Pages of publication	4618 - 4626
a	17.8433 ± 0.0001 Å
b	8.2767 ± 0.0003 Å
c	15.1223 ± 0.0006 Å
α	90°
β	115.072 ± 0.001°
γ	90°
Cell volume	2022.88 ± 0.11 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 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	0.0718
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	0.894
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193913 (current)	2017-03-05	cif/ Updating files of 7227366 Original log message: Adding full bibliography for 7227366.cif.	7227366.cif
189957	2017-01-06	cif/ Adding structures of 7227366 via cif-deposit CGI script.	7227366.cif