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2,2′-(Propane-1,3-diyl)bis(2H-indazole)
The title molecule, C(17)H(16)N(4), is a bis-indazole crystallized in the rare 2H-tautomeric form. Indazole heterocycles are connected by a propane C(3) chain, and the molecule is placed on a general position, in contrast to the analogous compound with a central C(2) ethane bridge, which was previ...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213583/ https://www.ncbi.nlm.nih.gov/pubmed/22091160 http://dx.doi.org/10.1107/S1600536811029011 |
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author | Ovalle, Saúl Bernès, Sylvain Pérez Rodríguez, Nancy Elizondo Martínez, Perla |
author_facet | Ovalle, Saúl Bernès, Sylvain Pérez Rodríguez, Nancy Elizondo Martínez, Perla |
author_sort | Ovalle, Saúl |
collection | PubMed |
description | The title molecule, C(17)H(16)N(4), is a bis-indazole crystallized in the rare 2H-tautomeric form. Indazole heterocycles are connected by a propane C(3) chain, and the molecule is placed on a general position, in contrast to the analogous compound with a central C(2) ethane bridge, which was previously found to be placed on an inversion center in the same space group. In the title molecule, indazole rings make a dihedral angle of 60.11 (7)°, and the bridging alkyl chain displays a trans conformation, resulting in a W-shaped molecule. In the crystal, molecules interact weakly through π–π contacts between inversion-related pyrazole rings, with a centroid–centroid separation of 3.746 (2) Å. |
format | Online Article Text |
id | pubmed-3213583 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32135832011-11-16 2,2′-(Propane-1,3-diyl)bis(2H-indazole) Ovalle, Saúl Bernès, Sylvain Pérez Rodríguez, Nancy Elizondo Martínez, Perla Acta Crystallogr Sect E Struct Rep Online Organic Papers The title molecule, C(17)H(16)N(4), is a bis-indazole crystallized in the rare 2H-tautomeric form. Indazole heterocycles are connected by a propane C(3) chain, and the molecule is placed on a general position, in contrast to the analogous compound with a central C(2) ethane bridge, which was previously found to be placed on an inversion center in the same space group. In the title molecule, indazole rings make a dihedral angle of 60.11 (7)°, and the bridging alkyl chain displays a trans conformation, resulting in a W-shaped molecule. In the crystal, molecules interact weakly through π–π contacts between inversion-related pyrazole rings, with a centroid–centroid separation of 3.746 (2) Å. International Union of Crystallography 2011-07-30 /pmc/articles/PMC3213583/ /pubmed/22091160 http://dx.doi.org/10.1107/S1600536811029011 Text en © Ovalle et al. 2011 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 | Organic Papers Ovalle, Saúl Bernès, Sylvain Pérez Rodríguez, Nancy Elizondo Martínez, Perla 2,2′-(Propane-1,3-diyl)bis(2H-indazole) |
title | 2,2′-(Propane-1,3-diyl)bis(2H-indazole) |
title_full | 2,2′-(Propane-1,3-diyl)bis(2H-indazole) |
title_fullStr | 2,2′-(Propane-1,3-diyl)bis(2H-indazole) |
title_full_unstemmed | 2,2′-(Propane-1,3-diyl)bis(2H-indazole) |
title_short | 2,2′-(Propane-1,3-diyl)bis(2H-indazole) |
title_sort | 2,2′-(propane-1,3-diyl)bis(2h-indazole) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213583/ https://www.ncbi.nlm.nih.gov/pubmed/22091160 http://dx.doi.org/10.1107/S1600536811029011 |
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