Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl­ate

The title mol­ecule, C(5)H(7)N(3)O(2), has an almost planar conformation, with a maximum deviation of 0.043 (3) Å, except for the methyl H atoms. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into layers parallel to the bc plane. Inter­molecular π–π stacking inte...

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Detalles Bibliográficos
Autores principales: Khan, F. Nawaz, Prabakaran, K., Roopan, S. Mohana, Hathwar, Venkatesha R., Akkurt, Mehmet
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979655/
https://www.ncbi.nlm.nih.gov/pubmed/21579536
http://dx.doi.org/10.1107/S1600536810019173
Descripción
Sumario:The title mol­ecule, C(5)H(7)N(3)O(2), has an almost planar conformation, with a maximum deviation of 0.043 (3) Å, except for the methyl H atoms. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into layers parallel to the bc plane. Inter­molecular π–π stacking inter­actions [centroid–centroid distances = 3.685 (2) and 3.697 (2) Å] are observed between the parallel triazole rings.

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