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Methyl 1-(2,6-difluoro-benz-yl)-1H-1,2,3-triazole-4-carboxyl-ate.

ABSTRACT: In the title compound, C(11)H(9)F(2)N(3)O(2), the triazole ring is planar, with an r.m.s. deviation of 0.0048 Å, and makes a dihedral angle of 77.3 (1)° with the benzene ring. In the crystal, weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules into chains along the b axis.

SUBMITTER: Dong SL

PROVIDER: S-EPMC3099962 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Ethyl 1-(2,6-difluoro-benz-yl)-1H-1,2,3-triazole-4-carboxyl-ate.

Project description:In the title compound, C(12)H(11)F(2)N(3)O(2), the dihedral angle between the triazole and phenyl rings is 73.74?(9)°. In the crystal, mol-ecules are linked into chains along [010] via weak C-H?O and C-H?N hydrogen bonds.

| S-EPMC3050293 | biostudies-literature

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

Project description:The title compound, C(4)H(5)N(3)O(2), features an essentially planar mol-ecule (r.m.s. deviation for all non-H atoms = 0.013?Å). The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds and ?-? stacking inter-actions (centroid-centroid distance 3.882?Å).

| S-EPMC2968371 | biostudies-literature

Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxyl-ate.

Project description:The asymmetric unit of the title compound, C8H9N5O2, contains two independent mol-ecules (A and B) in which the dihedral angles between the triazole and pyrazole rings are 4.80?(14) and 8.45?(16)°. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds into supra-molecular independent A and B chains propagating along the b-axis direction. The crystal structure also features ?-? stacking between the aromatic rings of adjacent chains, the centroid-centroid separations being 3.8001?(15), 3.8078?(17), 3.8190?(14) and 3.8421?(15)?Å.

| S-EPMC4120607 | biostudies-literature

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

Project description: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.

| S-EPMC2979655 | biostudies-literature

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

Project description: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.

| S-EPMC3200591 | biostudies-literature

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

Project description:In the title compound, C(11)H(11)N(3)O(2), prepared by the [3+2] cycloaddition reaction of benzyl azide with methyl propiolate, the dihedral angle between the ring planes is 67.87?(11)°.

| S-EPMC3006897 | biostudies-other

Ethyl 2-(2,6-difluoro-benz-yloxy)-4-(4,6-dimethoxy-pyrimidin-2-yl)quinoline-3-carboxyl-ate.

Project description:In the title compound, C(25)H(21)F(2)N(3)O(5), the pyrimidine and difluoro-benz-yloxy rings are twisted away from the central quinoline ring system, making dihedral angles of 54.6?(1) and 74.1?(1)°, respectively. A weak C-H?O inter-action links symmetry-related mol-ecules, forming a pseudo-dimer. ?-? inter-actions between the quinoline rings of symmetry-related mol-ecules [centroid-centroid distance = 3.5479?(10)?Å] link these dimers into chains parallel to [101]. Weak C-H?? inter-actions join adjacent chains, forming a two-dimensional layer parallel to (101).

| S-EPMC2970014 | biostudies-literature

(1-Phenyl-1H-1,2,3-triazol-4-yl)methyl pyridine-3-carboxyl-ate.

Project description:In the title compound, C(15)H(12)N(4)O(2), the dihedral angle between the planes of the nicotino-yloxy fragment and triazole ring is 88.61?(5)°. The dihedral angle between the planes of triazole and benzene rings is 16.54?(11)°. The crystal structure is stabilized by inter-molecular C-H?N, C-H?O and C-H??(triazole) hydrogen bonds and aromatic ?-? stacking inter-actions between the benzene and triazole rings [centroid-centroid distance = 3.895?(1)?Å].

| S-EPMC3007003 | biostudies-literature

Ethyl 1-(6-chloro-3-pyridylmeth-yl)-5-methyl-1H-1,2,3-triazole-4-carboxyl-ate.

Project description:In the title compound, C(12)H(13)ClN(4)O(2), the triazole ring carries methyl and ethoxy-carbonyl groups, and is bound via a methyl-ene bridge to a chloro-pyridine unit. There is evidence for significant electron delocalization in the triazolyl system. Intra-molecular C-H?O and inter-molecular C-H?N hydrogen bonds stabilize the structure.

| S-EPMC2959896 | biostudies-other

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

Project description:In the title compound, C(5)H(7)N(3)O(2), all non-H atoms lie in a common plane, with a maximum deviation of 0.061?(2)° for the ester methyl C atom. The structure is stabilized by inter-molecular C-H?O hydrogen bonds.

| S-EPMC2977234 | biostudies-other

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