Information card for entry 2241971

Structure parameters

• Chemical name: 2-(Chloroselanyl)pyridine 1-oxide
• Formula: C5 H4 Cl N O Se
• Calculated formula: C5 H4 Cl N O Se
• SMILES: [Se](Cl)c1n(=O)cccc1
• Title of publication: The synthesis and crystal structure of 2-(chloroselanyl)pyridine 1-oxide: the first monomeric organoselenenyl chloride stabilized by an intramolecular secondary Se···O interaction
• Authors of publication: Askerov, Rizvan K.; Matsulevich, Zhanna V.; Borisova, Galina N.; Zalepkina, Svetlana A.; Smirnov, Vasiliy F.; Grishina, Maria M.; Dorovatovskii, Pavel V.; Borisov, Alexander V.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1864 - 1866
• a: 3.9601 ± 0.0008 Å
• b: 7.5102 ± 0.0015 Å
• c: 22.35 ± 0.005 Å
• α: 90°
• β: 94.32 ± 0.03°
• γ: 90°
• Cell volume: 662.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.9699 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes