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Ethyl 1-(2-bromo-eth-yl)-3-(4-meth-oxy-phen-yl)-1H-pyrazole-5-carboxyl-ate.

ABSTRACT: In the title compound, C(15)H(17)BrN(2)O(3), the dihedral angle between the benzene and pyrazole rings is 5.63 (2)°. The crystal packing is stabilized by weak π-π stacking inter-actions [centroid-centroid distance = 3.927 (5) Å] and inter-molecular C-H⋯O and C-H⋯Br hydrogen bonds.

SUBMITTER: Yin L

PROVIDER: S-EPMC3414964 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:In the title mol-ecule, C(19)H(20)N(2)O(4)·H(2)O, the benzimidazole ring system is essentially planar [maximum deviation = 0.013?(11)?Å] and is inclined to the 4-meth-oxy-phenyl ring by 30.98?(5)°. In the crystal, O-H?O and O-H?N hydrogen bonds involving the water mol-ecule link neighbouring mol-ecules, forming a two-dimensional network lying parallel to the bc plane. There are also C-H?? and ?-? inter-actions present. The latter involve inversion-related benzimidazole rings with centroid-centroid distances of 3.5552?(8) and 3.7466?(8)?Å.

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Project description:In the title compound, C(21)H(22)N(2)O(6)S, the phenyl ring forms a dihedral angle of 83.17?(7)° with the indole ring system. The methyl group of the ester unit is disordered over two positions with site occupancies of 0.635?(6) and 0.365?(6). In the crystal structure, weak intra-molecular C-H?O inter-actions and inter-molecular C-H?O, C-H?N and C-H?? inter-actions are observed.

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Ethyl 1-phenyl-2-[4-(trifluoro-meth-oxy)phen-yl]-1H-benzimidazole-5-carboxyl-ate.

Project description:In the title compound, C(23)H(17)F(3)N(2)O(3), an intra-molecular C-H⋯F hydrogen bond generates an S(6) ring motif. The essentially planar 1H-benzimidazole ring system [maximum deviation = 0.021 (2) Å] forms dihedral angles of 25.00 (10) and 62.53 (11)° with the trifluoro-meth-oxy-substituted benzene and phenyl rings, respectively. The twist of the ethyl acetate group from the least-squares plane of the 1H-benzimidazole ring system is defined by a C(=O)-O-C-C torsion angle of 79.5 (3)°. In the crystal, mol-ecules are linked into a two-dimensional network parallel to the bc plane by weak C-H⋯N and C-H⋯O hydrogen bonds. Weak C-H⋯π inter-actions also observed.

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