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1,3-Diallyl-5-chloro-1H-benzimidazol-2(3H)-one.

ABSTRACT: The benzimidazolone part of the title mol-ecule, C(13)H(13)ClN(2)O, is almost planar (r.m.s. deviation = 0.006?Å) and its mean plane is aligned at dihedral angles of 62.5?(1) and 78.0?(1)° with respect to the mean planes of the allyl substituents.

SUBMITTER: Ouzidan Y

PROVIDER: S-EPMC3051792 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1,3-Dibenzyl-5-chloro-1H-benzimidazol-2(3H)-one.

Project description:In both independent mol-ecules of the title compound, C(21)H(17)ClN(2)O, the aromatic rings of the benzyl substituents are located on opposite sides of the benzimidazole ring systems. In one mol-ecule, the rings are aligned at 77.0?(1) and 78.1?(1)° with respect to the fused-ring system, whereas in the other mol-ecule the rings are aligned at 76.0?(1) and 76.9?(1)°. There is an inter-molecular Cl?O contact of 3.086?(1)?Å.

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1-Allyl-1H-1,3-benzimidazol-2(3H)-one.

Project description:The fused five- and six-membered rings in the title compound, C(10)H(10)N(2)O, are approximately coplanar, with an r.m.s. deviation of 0.008?Å. The mean plane of the allyl group is roughly perpendicular to the mean plane of the 1,3-benzimidazol-2(3H)-one system, making a dihedral angle of 86.1?(2)°. In the crystal, each mol-ecule is linked to its symmetry equivalent partner by a pair of N-H?O and C-H?O hydrogen bonds.

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1-Isopropenyl-1H-1,3-benzimidazol-2(3H)-one.

Project description:In the title N-substituted benzimidazol-2-one, C(10)H(10)N(2)O, the fused ring system is almost planar (r.m.s. deviation = 0.01?Å) and aligned at 57.9?(1)° with respect to the propenyl fragment. In the crystal, adjacent mol-ecules are linked by pairs of N-H?O hydrogen bonds into inversion dimers.

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5-Chloro-1-nonyl-1H-benzimidazol-2(3H)-one.

Project description:The asymmetric unit of the title compound, C(16)H(23)ClN(2)O, comtains two independent mol-ecules in which the fused-ring systems are essentially planar, the largest deviation from the mean plane of each mol-ecule being 0.011 (2) Å and 0.016 (2) Å. The benzimidazole rings of the two mol-ecules make a dihedral angle of 66.65 (7)°. The nonyl substituents are almost perpendicular to the benzimidazole planes [C-N-C-C tosrsion angles = 96.0 (3) and 81.0 (2)°]. In the crystal, each independent molecule forms an inversion dimer via a pair of N-H⋯O hydrogen bonds. In one of the independent molecules, the terminal -CH(2)-CH(3) group of the alkyl chain is disordered over two sets of sites with a refined occupancy ratio of 0.746 (7):0.254 (7).

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1,3-Diallyl-6-bromo-1H-imidazo[4,5-b]pyridin-2(3H)-one.

Project description:In the mol-ecule of the title compound, C(12)H(12)BrN(3)O, the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.0148?(3)?Å. The two allyl groups are nearly perpendicular to the imidazo[4,5-b]pyridine plane [C-C-N-C torsion angles of 81.6?(4) and -77.2?(4)°] and point in the same direction. The planes through the atoms forming each allyl group are nearly perpendicular to the imidazo[4,5-b]pyridin-2-one system, as indicated by the dihedral angles between them of 80.8?(5) and 73.6?(5)°.

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Project description:The title compound, C13H9N3O3, crystallizes with two identical but differently oriented mol-ecules in the asymmetric unit, the dihedral angle between the fused-ring systems of the two molecules being 64.39?(7)°. The two prop-2-ynyl chains are located on opposite sides of the mol-ecule and are nearly perpendicular to the fused ring plane, as indicated by the C-N-C-C torsion angles in the range 106.0?(3)-113.4?(3)°. In the crystal, the two mol-ecules are linked through C-H?O hydrogen bonds into dimers, which are subsequently linked by further C-H?O inter-actions, building a three-dimensional network.

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6-Chloro-1-(3,5-dimethyl-phenyl-sulfon-yl)-1H-benzimidazol-2(3H)-one.

Project description:The title compound, C(15)H(13)ClN(2)O(3)S, is one of a series of N(1)-benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, a new class of non-nucleoside HIV-1 reverse transcriptase inhibitors. The dihedral angle between the two pharmacophoric groups, the dimethyl-benzene ring and the benzimidazolone ring system, is 88?(1)°, giving a butterfly-like conformation to the mol-ecule. The mol-ecular packing is characterized by a bifurcated N-H?(O,O) hydrogen bond and short Cl?O contacts of 3.122?(2)?Å. In addition, ?-? stacking of the benzimidazolone rings is also present, with inter-planar separations of 3.95?(1)?Å.

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Project description:The mol-ecular structure of the title compound, C(17)H(20)N(4)O(5), contains a central fused-ring system, comprised of six- and five-membered rings. This unit is linked by C(2) chains to two 2-oxo-1,3-oxazolidine five-membered rings. The central fused-ring system is essentially planar, with a maximum deviation of 0.008?(1)?Å from the mean plane. Both oxazolidine five-membered rings are also nearly planar, with maximum deviations of 0.090?(1) and 0.141?(1)?Å.

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