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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...

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Autores principales: Ovalle, Saúl, Bernès, Sylvain, Pérez Rodríguez, Nancy, Elizondo Martínez, Perla
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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