Unknown

Dataset Information

0

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

Json Xml
altmetric image

Publications

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]

Similar Datasets

Unknown Methyl 1H-1,2,3-triazole-4-carboxyl-ate.
| S-EPMC2968371 | biostudies-literature
Unknown Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxyl-ate.
| S-EPMC4120607 | biostudies-literature
Unknown Methyl 1-benzyl-1H-1,2,3-triazole-4-carboxyl-ate.
| S-EPMC3006897 | biostudies-other
Unknown Methyl 1-(2,6-difluoro-benz-yl)-1H-1,2,3-triazole-4-carboxyl-ate.
| S-EPMC3099962 | biostudies-literature
Unknown Ethyl 5-methyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazole-4-carboxyl-ate.
| S-EPMC3200591 | biostudies-literature
Unknown Ethyl 1-(6-chloro-3-pyridylmeth-yl)-5-methyl-1H-1,2,3-triazole-4-carboxyl-ate.
| S-EPMC2959896 | biostudies-literature
Unknown Methyl 2-methyl-2H-1,2,3-triazole-4-carboxyl-ate.
| S-EPMC2977234 | biostudies-other
Unknown Ethyl 1-(6-chloro-3-pyridylmeth-yl)-5-ethoxy-methyl-eneamino-1H-1,2,3-triazole-4-carboxyl-ate.
| S-EPMC2959854 | biostudies-literature
Unknown Ethyl 1-(2,6-difluoro-benz-yl)-1H-1,2,3-triazole-4-carboxyl-ate.
| S-EPMC3050293 | biostudies-literature
Unknown Ethyl 1-benzyl-5-{[(isopropyl-amino)(3-nitro-phen-oxy)methyl-idene]amino}-1H-1,2,3-triazole-4-carboxyl-ate.
| S-EPMC3011645 | biostudies-literature