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(2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)meth-oxy]-3-eth-oxy-phen-yl}-1-(4-bromo-phen-yl)prop-2-en-1-one monohydrate.

ABSTRACT: In the title compound, C(25)H(21)BrN(2)O(3)·H(2)O, the benzimidazole fragment and the water mol-ecule of crystallization are each disordered over two sets of sites of equal occupancy. The dihedral angles between the least-squares planes of the benzimidazole and the 3-eth-oxy- and 4-bromo-benzene rings are 86.9 (6) and 85.1 (1)°, respectively in one disorder component. The crystal packing is stabilized by inter-molecular O-H⋯O, O-H⋯N and N-H⋯N hydrogen bonds, which link the mol-ecules into chains along the a axis.

SUBMITTER: Jasinski JP

PROVIDER: S-EPMC3099940 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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(2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)meth-oxy]-3-eth-oxy-phen-yl}-1-(4-bromo-phen-yl)prop-2-en-1-one monohydrate.

Jasinski Jerry P JP Miller William M WM Samshuddin S S Samshuddin S S Narayana B B Yathirajan H S HS

Acta crystallographica. Section E, Structure reports online 20110312 Pt 4

In the title compound, C(25)H(21)BrN(2)O(3)·H(2)O, the benzimidazole fragment and the water mol-ecule of crystallization are each disordered over two sets of sites of equal occupancy. The dihedral angles between the least-squares planes of the benzimidazole and the 3-eth-oxy- and 4-bromo-benzene rings are 86.9 (6) and 85.1 (1)°, respectively in one disorder component. The crystal packing is stabilized by inter-molecular O-H⋯O, O-H⋯N and N-H⋯N hydrogen bonds, which link the mol-ecules into chains ...[more]

PMID: 21754118

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(2E)-3-(4-Eth-oxy-phen-yl)-1-(2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one monohydrate.

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Crystal structures of (2E)-1-(3-bromo-thio-phen-2-yl)-3-(2-meth-oxy-phen-yl)prop-2-en-1-one and (2E)-1-(3-bromo-thio-phen-2-yl)-3-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one.

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(2E)-3-(3-Bromo-4-meth-oxy-phen-yl)-1-(4-fluoro-phen-yl)prop-2-en-1-one.

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(2E)-1-(3-Bromo-phen-yl)-3-(4,5-dimeth-oxy-2-nitro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(17)H(14)BrNO(5), the dihedral angle between the 3-bromo-substituted benzene ring and the 4,5-dimeth-oxy-2-nitro-phenyl ring is 15.2 (1)°. The dihedral angles between the mean plane of the propenone group and the mean planes of the 3-bromo-substituted benzene and 4,5-dimeth-oxy-2-nitro-phenyl rings are 6.9 (6) and 20.5 (5)°, respectively. Weak inter-molecular C-H⋯O inter-actions contribute to crystal stability and π-π inter-actions [centroid-centroid distances = 3.7072 (18) and 3.6326 (18) Å] are also observed.

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(2E)-3-(3-Bromo-4-meth-oxy-phen-yl)-1-(4-methyl-phen-yl)prop-2-en-1-one.

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(2E)-1-(5-Bromo-thio-phen-2-yl)-3-(2,3,4-trimeth-oxy-phen-yl)prop-2-en-1-one.

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(2E)-1-(2-Bromo-phen-yl)-3-(4-bromo-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(15)H(10)Br(2)O, is a chalcone with 2-bromo-phenyl and 4-bromo-phenyl rings bonded to opposite sides of a propenone group. The dihedral angle between mean planes of the benzene rings is 71.3 (1)°. The angle between the mean plane of the prop-2-ene-1-one group and the mean planes of the 2-bromo-phenyl and 4-bromo-phenyl rings are 64.2 (9) and 71.3 (1)°, respectively. A weak inter-molecular C-H⋯O inter-action and two weak C-Br⋯π inter-actions are observed, which contribute to the stability of the crystal packing.

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