Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782390337231126528 |
---|---|
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. |
format | Online Article Text |
id | pubmed-4571417 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT askerovrizvank crystalstructureofrac3ar9as444trichloro1233a49ahexahydro4l59l4cyclopenta4513tellurazolo32apyridine AT lukiyanovajuliam crystalstructureofrac3ar9as444trichloro1233a49ahexahydro4l59l4cyclopenta4513tellurazolo32apyridine AT matsulevichzhannav crystalstructureofrac3ar9as444trichloro1233a49ahexahydro4l59l4cyclopenta4513tellurazolo32apyridine AT borisovalexanderv crystalstructureofrac3ar9as444trichloro1233a49ahexahydro4l59l4cyclopenta4513tellurazolo32apyridine AT khrustalevvictorn crystalstructureofrac3ar9as444trichloro1233a49ahexahydro4l59l4cyclopenta4513tellurazolo32apyridine |