Information card for entry 7227366

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 ų
• 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 Fobs: No