tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxyl­ate

In the title compound, C(12)H(14)BrN(3)O(2), the pyrazole and benzene rings are nearly co-planar with a dihedral angle between the rings of 2.36 (5)°. In the crystal, inversion dimers linked by pairwise N—H⋯N hydrogen bonds generate R (2) (2)(8) loops. The dimers are linked into a three-dimensional...

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Autores principales: Thiruvalluvar, Aravazhi Amalan, Kusanur, Raviraj, Sridharan, Makuteswaran
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462357/
https://www.ncbi.nlm.nih.gov/pubmed/36340663
http://dx.doi.org/10.1107/S2414314621006945
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author Thiruvalluvar, Aravazhi Amalan
Kusanur, Raviraj
Sridharan, Makuteswaran
author_facet Thiruvalluvar, Aravazhi Amalan
Kusanur, Raviraj
Sridharan, Makuteswaran
author_sort Thiruvalluvar, Aravazhi Amalan
collection PubMed
description In the title compound, C(12)H(14)BrN(3)O(2), the pyrazole and benzene rings are nearly co-planar with a dihedral angle between the rings of 2.36 (5)°. In the crystal, inversion dimers linked by pairwise N—H⋯N hydrogen bonds generate R (2) (2)(8) loops. The dimers are linked into a three-dimensional network by weak aromatic π–π stacking inter­actions [centroid–centroid separation = 3.7394 (6) Å] and C—H⋯O and C—H⋯Br hydrogen bonds. [Image: see text]
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spelling pubmed-94623572022-11-04 tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxyl­ate Thiruvalluvar, Aravazhi Amalan Kusanur, Raviraj Sridharan, Makuteswaran IUCrdata Data Reports In the title compound, C(12)H(14)BrN(3)O(2), the pyrazole and benzene rings are nearly co-planar with a dihedral angle between the rings of 2.36 (5)°. In the crystal, inversion dimers linked by pairwise N—H⋯N hydrogen bonds generate R (2) (2)(8) loops. The dimers are linked into a three-dimensional network by weak aromatic π–π stacking inter­actions [centroid–centroid separation = 3.7394 (6) Å] and C—H⋯O and C—H⋯Br hydrogen bonds. [Image: see text] International Union of Crystallography 2021-07-09 /pmc/articles/PMC9462357/ /pubmed/36340663 http://dx.doi.org/10.1107/S2414314621006945 Text en © Thiruvalluvar et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Thiruvalluvar, Aravazhi Amalan
Kusanur, Raviraj
Sridharan, Makuteswaran
tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxyl­ate
title tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxyl­ate
title_full tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxyl­ate
title_fullStr tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxyl­ate
title_full_unstemmed tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxyl­ate
title_short tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxyl­ate
title_sort tert-butyl 3-amino-5-bromo-1h-indazole-1-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462357/
https://www.ncbi.nlm.nih.gov/pubmed/36340663
http://dx.doi.org/10.1107/S2414314621006945
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AT sridharanmakuteswaran tertbutyl3amino5bromo1hindazole1carboxylate

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