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Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl-ate.

ABSTRACT: The title mol-ecule, 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, inter-molecular C-H?O hydrogen bonds link the mol-ecules into layers parallel to the bc plane. Inter-molecular ?-? stacking inter-actions [centroid-centroid distances = 3.685?(2) and 3.697?(2)?Å] are observed between the parallel triazole rings.

SUBMITTER: Khan FN 

PROVIDER: S-EPMC2979655 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl-ate.

Khan F Nawaz FN   Prabakaran K K   Roopan S Mohana SM   Hathwar Venkatesha R VR   Akkurt Mehmet M  

Acta crystallographica. Section E, Structure reports online 20100526 Pt 6

The title mol-ecule, 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, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the bc plane. Inter-molecular π-π stacking inter-actions [centroid-centroid distances = 3.685 (2) and 3.697 (2) Å] are observed between the parallel triazole rings. ...[more]

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