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1-[(4-tert-Butyl-phen-yl)sulfon-yl]-1H-benzimidazole.

ABSTRACT: The title compound, C(17)H(18)N(2)O(2)S, was synthesized by aryl-sulfonyl-ation of 1-hy-droxy-methyl-1H-benzimidazole in the presence of triethyl-amine. The benzimidazole and benzene rings form a dihedral angle of 84.1 (1)°. The tert-butyl group was treated as rotationally disordered over two orientations in a 0.51 (2):0.49 (2) ratio. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains propagating in [010].

SUBMITTER: Abdireymov KB

PROVIDER: S-EPMC3051969 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-(4-tert-Butyl-benz-yl)-2-(4-tert-butyl-phen-yl)-1H-benzimidazole.

Project description:In the mol-ecule of the title compound, C(28)H(32)N(2), the benzimidazole ring system is almost planar [maximum deviation = 0.0221 (15) Å] and forms dihedral angles of 85.86 (4) and 32.09 (6)° with the benzene rings. In the crystal structure, mol-ecules are linked into chains running parallel to the a axis by inter-molecular C-H⋯N hydrogen bonds. The methyl groups of a tert-butyl group are rotationally disordered over two positions with refined site-occupancy factors of 0.636 (4) and 0.364 (4).

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tert-Butyl 2-{[5-(4-cyano-phen-yl)pyridin-3-yl]sulfon-yl}acetate.

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3-tert-Butyl-1-(3-nitro-phen-yl)-1H-pyrazol-5-amine.

Project description:In the title compound, C(13)H(16)N(4)O(2), the pyrazole ring forms a dihedral angle of 50.61?(6)° with the 3-nitro-phenyl ring. The plane of the nitro group is twisted by 6.8?(7)° out of the plane of the phenyl ring. In the crystal, the mol-ecules are linked by N-H?N and N-H?O hydrogen bonds, forming sheets in the bc plane. In addition, a weak C-H?N inter-action is observed.

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Ethyl 1-sec-butyl-2-(4-chloro-phen-yl)-1H-benzimidazole-5-carboxyl-ate.

Project description:In the title compound, C(20)H(21)ClN(2)O(2), the ethyl 1H-benzimidazole-5-carboxyl-ate ring system, excluding the methyl-ene and methyl H atoms, is almost planar, with a maximum deviation of 0.055 (1) Å, and makes a dihedral angle of 40.63 (4)° with the benzene ring. The sec-butyl group is disordered over two positions, with refined site occupancies of 0.855 (4) and 0.145 (4). In the crystal, mol-ecules are linked into chains along [010] via inter-molecular C-H⋯O hydrogen bonds and are further inter-connected by C-H⋯Cl inter-actions into two-dimensional networks parallel to (001). The crystal structure is further consolidated by C-H⋯π inter-actions.

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Ethyl 2-(4-bromo-phen-yl)-1-sec-butyl-1H-benzimidazole-5-carboxyl-ate.

Project description:In the title compound, C(20)H(21)BrN(2)O(2), the bromo-phenyl ring is twisted by 40.13 (8)° from the benzimidazole mean plane and the Br atom deviates by 0.753 (1) Å from that plane. The sec-butyl group is disordered over two conformations in a 0.898 (5):0.102 (5) ratio. In the crystal, mol-ecules related by translation along [[Formula: see text]10] are linked into chains via weak C-H⋯Br hydrogen bonds.

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Ethyl 1-sec-butyl-2-(4-methoxy-phen-yl)-1H-benzimidazole-5-carboxyl-ate.

Project description:In the title mol-ecule, C(21)H(24)N(2)O(3), the dihedral angle between the benzene and imidazole rings is 66.33 (13)°. The imidazole ring is essentially planar, with a maximum deviation of 0.004 (2) Å. In the crystal structure, mol-ecules are connected by weak C-H⋯O hydrogen bonds, forming chains along the b axis.

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Ethyl 1-sec-butyl-2-(4-fluoro-phen-yl)-1H-benzimidazole-5-carboxyl-ate.

Project description:In the title compound, C(20)H(21)FN(2)O(2), the benzene ring and the benzimidazole ring system are inclined at a dihedral angle of 44.40 (9)°. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds, forming a zigzag chain along the b-axis direction. An intra-molecular C-H⋯π inter-action is also observed.

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