Crystal structure of 5,7-diphenyl-4,7-di­hydro­tetra­zolo[1,5-a]pyrimidine

In the title mol­ecule, C(16)H(13)N(5), the plane of the tetra­zole ring forms dihedral angles of 16.37 (7) and 76.59 (7)° with the two phenyl rings. The dihedral angle between the phenyl rings is 68.05 (6)°. The pyrimidine ring is in a flattened boat conformation. In the crystal, mol­ecules are lin...

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Detalles Bibliográficos
Autores principales: Price, Ivy K., Rougeot, Celine, Hein, Jason E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350716/
https://www.ncbi.nlm.nih.gov/pubmed/25844243
http://dx.doi.org/10.1107/S2056989015002984
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author Price, Ivy K.
Rougeot, Celine
Hein, Jason E.
author_facet Price, Ivy K.
Rougeot, Celine
Hein, Jason E.
author_sort Price, Ivy K.
collection PubMed
description In the title mol­ecule, C(16)H(13)N(5), the plane of the tetra­zole ring forms dihedral angles of 16.37 (7) and 76.59 (7)° with the two phenyl rings. The dihedral angle between the phenyl rings is 68.05 (6)°. The pyrimidine ring is in a flattened boat conformation. In the crystal, mol­ecules are linked by pairs of N—H⋯N hydrogen bonds, forming inversion dimers.
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spelling pubmed-43507162015-04-03 Crystal structure of 5,7-diphenyl-4,7-di­hydro­tetra­zolo[1,5-a]pyrimidine Price, Ivy K. Rougeot, Celine Hein, Jason E. Acta Crystallogr E Crystallogr Commun Data Reports In the title mol­ecule, C(16)H(13)N(5), the plane of the tetra­zole ring forms dihedral angles of 16.37 (7) and 76.59 (7)° with the two phenyl rings. The dihedral angle between the phenyl rings is 68.05 (6)°. The pyrimidine ring is in a flattened boat conformation. In the crystal, mol­ecules are linked by pairs of N—H⋯N hydrogen bonds, forming inversion dimers. International Union of Crystallography 2015-02-21 /pmc/articles/PMC4350716/ /pubmed/25844243 http://dx.doi.org/10.1107/S2056989015002984 Text en © Price 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
Price, Ivy K.
Rougeot, Celine
Hein, Jason E.
Crystal structure of 5,7-diphenyl-4,7-di­hydro­tetra­zolo[1,5-a]pyrimidine
title Crystal structure of 5,7-diphenyl-4,7-di­hydro­tetra­zolo[1,5-a]pyrimidine
title_full Crystal structure of 5,7-diphenyl-4,7-di­hydro­tetra­zolo[1,5-a]pyrimidine
title_fullStr Crystal structure of 5,7-diphenyl-4,7-di­hydro­tetra­zolo[1,5-a]pyrimidine
title_full_unstemmed Crystal structure of 5,7-diphenyl-4,7-di­hydro­tetra­zolo[1,5-a]pyrimidine
title_short Crystal structure of 5,7-diphenyl-4,7-di­hydro­tetra­zolo[1,5-a]pyrimidine
title_sort crystal structure of 5,7-diphenyl-4,7-di­hydro­tetra­zolo[1,5-a]pyrimidine
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350716/
https://www.ncbi.nlm.nih.gov/pubmed/25844243
http://dx.doi.org/10.1107/S2056989015002984
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