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Crystal structure of N′-[(E)-(1S,3R)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide
The title compound, C(17)H(24)N(2)O(3)S, was synthesized in order to determine the relative configuration of the corresponding β-keto aldehyde. In the U-shaped molecule, the five-membered ring approximates an envelope, with the methylene C atom adjacent to the quaternary C atom being the flap, and...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719872/ https://www.ncbi.nlm.nih.gov/pubmed/26870519 http://dx.doi.org/10.1107/S2056989015020307 |
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author | Tymann, David Dragon, Dina Christina Golz, Christopher Preut, Hans Strohmann, Carsten Hiersemann, Martin |
author_facet | Tymann, David Dragon, Dina Christina Golz, Christopher Preut, Hans Strohmann, Carsten Hiersemann, Martin |
author_sort | Tymann, David |
collection | PubMed |
description | The title compound, C(17)H(24)N(2)O(3)S, was synthesized in order to determine the relative configuration of the corresponding β-keto aldehyde. In the U-shaped molecule, the five-membered ring approximates an envelope, with the methylene C atom adjacent to the quaternary C atom being the flap, and the methyl and isopropyl substituents lying to the same side of the ring. The dihedral angles between the four nearly coplanar atoms of the five-membered ring and the flap and the aromatic ring are 35.74 (15) and 55.72 (9)°, respectively. The bond angles around the S atom are in the range from 103.26 (12) to 120.65 (14)°. In the crystal, molecules are linked via N—H⋯O hydrogen bonds, forming a chain along the a axis. |
format | Online Article Text |
id | pubmed-4719872 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47198722016-02-11 Crystal structure of N′-[(E)-(1S,3R)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide Tymann, David Dragon, Dina Christina Golz, Christopher Preut, Hans Strohmann, Carsten Hiersemann, Martin Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(17)H(24)N(2)O(3)S, was synthesized in order to determine the relative configuration of the corresponding β-keto aldehyde. In the U-shaped molecule, the five-membered ring approximates an envelope, with the methylene C atom adjacent to the quaternary C atom being the flap, and the methyl and isopropyl substituents lying to the same side of the ring. The dihedral angles between the four nearly coplanar atoms of the five-membered ring and the flap and the aromatic ring are 35.74 (15) and 55.72 (9)°, respectively. The bond angles around the S atom are in the range from 103.26 (12) to 120.65 (14)°. In the crystal, molecules are linked via N—H⋯O hydrogen bonds, forming a chain along the a axis. International Union of Crystallography 2015-11-04 /pmc/articles/PMC4719872/ /pubmed/26870519 http://dx.doi.org/10.1107/S2056989015020307 Text en © Tymann 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 Tymann, David Dragon, Dina Christina Golz, Christopher Preut, Hans Strohmann, Carsten Hiersemann, Martin Crystal structure of N′-[(E)-(1S,3R)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide |
title | Crystal structure of N′-[(E)-(1S,3R)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide |
title_full | Crystal structure of N′-[(E)-(1S,3R)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide |
title_fullStr | Crystal structure of N′-[(E)-(1S,3R)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide |
title_full_unstemmed | Crystal structure of N′-[(E)-(1S,3R)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide |
title_short | Crystal structure of N′-[(E)-(1S,3R)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide |
title_sort | crystal structure of n′-[(e)-(1s,3r)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719872/ https://www.ncbi.nlm.nih.gov/pubmed/26870519 http://dx.doi.org/10.1107/S2056989015020307 |
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