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Crystal structure of (2E)-1-(4-hy-droxy-3-meth-oxy-phen-yl)-3-(4-hy-droxy-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title moleclue, C16H14O4, the dihedral angle between the benzene rings is 16.1?(3)°. The meth-oxy group is essentially coplanar with the benzene ring to which it is attached, with a C-O-C C torsion angle of 5.5?(9)°. In the crystal, mol-ecules are linked by O-H?O and bifurcated O-H?(O,O) hydrogen bonds, forming a three-dimensional network. The structure was refined as a two-component inversion twin.

SUBMITTER: Sathya S

PROVIDER: S-EPMC4257319 | biostudies-other | 2014 Nov

REPOSITORIES: biostudies-other

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Crystal structure of (2E)-1-(4-hy-droxy-3-meth-oxy-phen-yl)-3-(4-hy-droxy-phen-yl)prop-2-en-1-one.

Sathya S S Reuben Jonathan D D Prathebha K K Jovita J J Usha G G

Acta crystallographica. Section E, Structure reports online 20141015 Pt 11

In the title moleclue, C16H14O4, the dihedral angle between the benzene rings is 16.1 (3)°. The meth-oxy group is essentially coplanar with the benzene ring to which it is attached, with a C-O-C C torsion angle of 5.5 (9)°. In the crystal, mol-ecules are linked by O-H⋯O and bifurcated O-H⋯(O,O) hydrogen bonds, forming a three-dimensional network. The structure was refined as a two-component inversion twin. ...[more]

PMID: 25484802

Similar Datasets

(2E)-1-(2-Hy-droxy-5-methyl-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

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Crystal structure of (2E)-3-(3-eth-oxy-4-hy-droxy-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

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(E)-3-(4-Hy-droxy-3-meth-oxy-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

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(E)-1-(2-Hy-droxy-6-meth-oxy-phen-yl)-3-(2,4,6-tri-meth-oxy-phen-yl)prop-2-en-1-one.

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Crystal structure of (2E)-1-(4-hy-droxy-1-methyl-2-oxo-1,2-di-hydro-quinolin-3-yl)-3-(4-hy-droxy-3-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C20H17NO5, the dihedral angle between the mean plane of the di-hydro-quinoline ring system (r.m.s. deviation = 0.003 Å) and the benzene ring is 1.83 (11)°. The almost planar conformation is a consequence of an intra-molecular O-H⋯O hydrogen bond and the E configuration about the central C=C bond. In the crystal structure, O-H⋯O hydrogen bonds generate chains of mol-ecules along the [10-1] direction. These chains are linked via π-π inter-actions [inter-centroid distances are in the range 3.6410 (16)-3.8663 (17) Å].

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

Project description:The mol-ecule of the title compound, C(17)H(16)O(3), exists in the E conformation with respect to the central C=C bond, is almost planar(r.m.s. deviation = 0.003?Å) and has an intra-molecular O-H?O hydrogen bond, which generates an S(6) ring. In the crystal, mol-ecules are linked by C-H?O inter-actions.

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(E)-1-[2-Hy-droxy-4,6-bis-(meth-oxy-meth-oxy)phen-yl]-3-phenyl-prop-2-en-1-one.

Project description:The title compound, C19H20O6, consists of a tetra-substituted benzene ring with one substituent being an ?,?-unsaturated cinnamoyl group, which forms an extended conjugated system in the mol-ecule. In addition, two meth-oxy-meth-oxy and one hy-droxy group are bonded to the central benzene ring. The dihedral angle between eh rings is 10.22?(10)°. An intra-molecular hydrogen bond is observed between the hy-droxy group and the carbonyl O atom. One of the meth-oxy-meth-oxy substituents is conformationally disordered over two sets of sites with site-occupation factors of 0.831?(3) and 0.169?(3).

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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.

Project description:In the mol-ecules of the title compounds, (2E)-1-(3-bromo-thio-phen-2-yl)-3-(2-meth-oxy-phen-yl)prop-2-en-1-one, C14H11BrO2S, (I), which crystallizes in the space group P-1 with four independent mol-ecules in the asymmetric unit (Z' = 8), and (2E)-1-(3-bromo-thio-phen-2-yl)-3-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one, C15H13BrO3S, (II), which crystallizes with Z' = 8 in the space group I2/a, the non-H atoms are nearly coplanar. The mol-ecules of (I) pack with inversion symmetry stacked diagonally along the a-axis direction. Weak C-H?Br intra-molecular inter-actions in each of the four mol-ecules in the asymmetric unit are observed. In (II), weak C-H?O, bifurcated three-center inter-molecular inter-actions forming dimers along with weak C-H?? and ?-? stacking inter-actions are observed, linking the mol-ecules into sheets along [001]. A weak C-H?Br intra-molecular inter-action is also present. There are no classical hydrogen bonds present in either structure.

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