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Crystal structure of rac-(3aR*,9aS*)-4,4,4-tri­chloro-1,2,3,3a,4,9a-hexa­hydro-4λ(5),9λ(4)-cyclo­penta­[4,5][1,3]tellurazolo[3,2-a]pyridine

The title compound, C(10)H(12)Cl(3)NTe, crystallizes with two crystallographically independent mol­ecules (A and B) in the asymmetric unit. In each case, the coordination around the Te atom is distorted square-pyramidal, with the equatorial plane composed of the three Cl atoms and the C atom of the...

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Autores principales: Askerov, Rizvan K., Lukiyanova, Julia M., Matsulevich, Zhanna V., Borisov, Alexander V., Khrustalev, Victor N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571417/
https://www.ncbi.nlm.nih.gov/pubmed/26396817
http://dx.doi.org/10.1107/S2056989015012311
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author Askerov, Rizvan K.
Lukiyanova, Julia M.
Matsulevich, Zhanna V.
Borisov, Alexander V.
Khrustalev, Victor N.
author_facet Askerov, Rizvan K.
Lukiyanova, Julia M.
Matsulevich, Zhanna V.
Borisov, Alexander V.
Khrustalev, Victor N.
author_sort Askerov, Rizvan K.
collection PubMed
description The title compound, C(10)H(12)Cl(3)NTe, crystallizes with two crystallographically independent mol­ecules (A and B) in the asymmetric unit. In each case, the coordination around the Te atom is distorted square-pyramidal, with the equatorial plane composed of the three Cl atoms and the C atom of the pyridinium ring. The Te atom is displaced from the mean-square plane by 0.1926 (7) and 0.1981 (8) Å, in mol­ecules A and B, respectivly, away from the apical C atom. The bond lengths from the Te atom to the two Cl atoms arranged trans to each other [2.5009 (7)/2.5145 (7) and 2.5184 (7)/2.5220 (8) Å in mol­ecules A and B, respectivly] are substan­ti­ally shorter than the third Te—Cl distance [2.8786 (7) and 2.8763 (7) Å in mol­ecules A and B, respectivly]. The 1,3-tellurazole ring is almost planar (r.m.s. deviations of 0.042 and 0.045 Å in mol­ecules A and B, respectivly). The cyclopentane rings in both molecules A and B adopt envelope conformations with the carbon atom opposed to the (Te)C—C(N) bond as the flap. In the crystal, mol­ecules form centrosymmetric 2 + 2 associates via Te⋯Cl inter­actions [3.3993 (7) and 3.2030 (7) Å]. As a result of these secondary inter­actions, the Te atom attains a strongly distorted 5 + 1 octa­hedral environment. Further, the 2 + 2 associates are bound by weak C—H⋯Cl hydrogen bonds into a three–dimensional framework.
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spelling pubmed-45714172015-09-22 Crystal structure of rac-(3aR*,9aS*)-4,4,4-tri­chloro-1,2,3,3a,4,9a-hexa­hydro-4λ(5),9λ(4)-cyclo­penta­[4,5][1,3]tellurazolo[3,2-a]pyridine Askerov, Rizvan K. Lukiyanova, Julia M. Matsulevich, Zhanna V. Borisov, Alexander V. Khrustalev, Victor N. Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(10)H(12)Cl(3)NTe, crystallizes with two crystallographically independent mol­ecules (A and B) in the asymmetric unit. In each case, the coordination around the Te atom is distorted square-pyramidal, with the equatorial plane composed of the three Cl atoms and the C atom of the pyridinium ring. The Te atom is displaced from the mean-square plane by 0.1926 (7) and 0.1981 (8) Å, in mol­ecules A and B, respectivly, away from the apical C atom. The bond lengths from the Te atom to the two Cl atoms arranged trans to each other [2.5009 (7)/2.5145 (7) and 2.5184 (7)/2.5220 (8) Å in mol­ecules A and B, respectivly] are substan­ti­ally shorter than the third Te—Cl distance [2.8786 (7) and 2.8763 (7) Å in mol­ecules A and B, respectivly]. The 1,3-tellurazole ring is almost planar (r.m.s. deviations of 0.042 and 0.045 Å in mol­ecules A and B, respectivly). The cyclopentane rings in both molecules A and B adopt envelope conformations with the carbon atom opposed to the (Te)C—C(N) bond as the flap. In the crystal, mol­ecules form centrosymmetric 2 + 2 associates via Te⋯Cl inter­actions [3.3993 (7) and 3.2030 (7) Å]. As a result of these secondary inter­actions, the Te atom attains a strongly distorted 5 + 1 octa­hedral environment. Further, the 2 + 2 associates are bound by weak C—H⋯Cl hydrogen bonds into a three–dimensional framework. International Union of Crystallography 2015-07-22 /pmc/articles/PMC4571417/ /pubmed/26396817 http://dx.doi.org/10.1107/S2056989015012311 Text en © Askerov et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Askerov, Rizvan K.
Lukiyanova, Julia M.
Matsulevich, Zhanna V.
Borisov, Alexander V.
Khrustalev, Victor N.
Crystal structure of rac-(3aR*,9aS*)-4,4,4-tri­chloro-1,2,3,3a,4,9a-hexa­hydro-4λ(5),9λ(4)-cyclo­penta­[4,5][1,3]tellurazolo[3,2-a]pyridine
title Crystal structure of rac-(3aR*,9aS*)-4,4,4-tri­chloro-1,2,3,3a,4,9a-hexa­hydro-4λ(5),9λ(4)-cyclo­penta­[4,5][1,3]tellurazolo[3,2-a]pyridine
title_full Crystal structure of rac-(3aR*,9aS*)-4,4,4-tri­chloro-1,2,3,3a,4,9a-hexa­hydro-4λ(5),9λ(4)-cyclo­penta­[4,5][1,3]tellurazolo[3,2-a]pyridine
title_fullStr Crystal structure of rac-(3aR*,9aS*)-4,4,4-tri­chloro-1,2,3,3a,4,9a-hexa­hydro-4λ(5),9λ(4)-cyclo­penta­[4,5][1,3]tellurazolo[3,2-a]pyridine
title_full_unstemmed Crystal structure of rac-(3aR*,9aS*)-4,4,4-tri­chloro-1,2,3,3a,4,9a-hexa­hydro-4λ(5),9λ(4)-cyclo­penta­[4,5][1,3]tellurazolo[3,2-a]pyridine
title_short Crystal structure of rac-(3aR*,9aS*)-4,4,4-tri­chloro-1,2,3,3a,4,9a-hexa­hydro-4λ(5),9λ(4)-cyclo­penta­[4,5][1,3]tellurazolo[3,2-a]pyridine
title_sort crystal structure of rac-(3ar*,9as*)-4,4,4-tri­chloro-1,2,3,3a,4,9a-hexa­hydro-4λ(5),9λ(4)-cyclo­penta­[4,5][1,3]tellurazolo[3,2-a]pyridine
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571417/
https://www.ncbi.nlm.nih.gov/pubmed/26396817
http://dx.doi.org/10.1107/S2056989015012311
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