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Ethyl 5-methyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazole-4-carboxyl-ate.

ABSTRACT: In the title compound, C(12)H(12)N(4)O(4), the 1,2,3-triazole ring and the nitro group form dihedral angles of 37.93?(5) and 8.97?(12)°, respectively, with the phenyl ring. The mol-ecular structure is stabilized by an intra-molecular C-H?O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked by C-H?N hydrogen bonds into layers lying parallel to (100). The crystal structure is further consolidated by ?-? [centroid-centroid distance = 3.6059?(6)?Å] inter-actions.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3200591 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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Ethyl 5-methyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazole-4-carboxyl-ate.

Fun Hoong-Kun HK   Quah Ching Kheng CK   Nithinchandra   Kalluraya Balakrishna B  

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

In the title compound, C(12)H(12)N(4)O(4), the 1,2,3-triazole ring and the nitro group form dihedral angles of 37.93 (5) and 8.97 (12)°, respectively, with the phenyl ring. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked by C-H⋯N hydrogen bonds into layers lying parallel to (100). The crystal structure is further consolidated by π-π [centroid-centroid distance = 3.6059 (6) Å] inter-actions  ...[more]

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