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1-Phenyl-3-(2,4,6-trimethoxy-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C(18)H(18)O(4), a derivative of biologically active chalcones, the dihedral angle between the two rings is 7.43?(7)°. The molecule adopts an E configuration about the central olefinic bonds. In the crystal, there are no strong inter-actions between the mol-ecules.

SUBMITTER: Wu J

PROVIDER: S-EPMC2971044 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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1-Phenyl-3-(2,4,6-trimethoxy-phen-yl)prop-2-en-1-one.

Wu Jianzhang J Zhang Li L Wang Jing J Yang Shulin S Li Xiaokun X

Acta crystallographica. Section E, Structure reports online 20091023 Pt 11

In the title compound, C(18)H(18)O(4), a derivative of biologically active chalcones, the dihedral angle between the two rings is 7.43 (7)°. The molecule adopts an E configuration about the central olefinic bonds. In the crystal, there are no strong inter-actions between the mol-ecules. ...[more]

PMID: 21578397

Similar Datasets

1-Phenyl-3-(2,4,6-trimethoxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(18)H(18)O(4), the dihedral angle between the mean planes of the aromatic rings is 7.39 (6)°. The dihedral angles between the linking C-C=C-C plane and the phenyl and benzene rings are 11.27 (5) and 4.20 (5)°, respectively.

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(E)-1-(4-Bromo-phen-yl)-3-(2,4,6-trimethoxy-phen-yl)prop-2-en-1-one.

Project description:The mol-ecule of the title chalcone derivative, C(18)H(17)BrO(4), is twisted, the dihedral angle between the 4-bromo-phenyl and 2,4,6-trimethoxy-phenyl rings being 39.17?(6)°. The three meth-oxy groups are oriented in two different conformations whereby two meth-oxy groups are coplanar, whereas the third is twisted with respect to the attached benzene ring [C-O-C-C torsion angles of -2.84?(18), -2.80?(18) and -9.31?(18)°]. Weak intra-molecular C-H?O inter-actions generate two S(5) and one S(6) ring motifs. In the crystal structure, mol-ecules are linked into supra-molecular sheets parallel to the bc plane by weak C-H?O inter-actions. These sheets are stacked along the a axis. The crystal structure is further stabilized by weak C-H?? inter-actions.

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

Project description:In the title compound, C(18)H(17)BrO(4), the dihedral angle between the 4-bromo-phenyl and 3,4,5-trimethoxy-phenyl rings is 44.18?(6)°. In the crystal structure, the mol-ecules are linked by C-H?O and C-H?? inter-actions.

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(E)-1-(2-Thien-yl)-3-(2,4,5-trimethoxy-phen-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(16)H(16)O(4)S, the enone fragment, thio-phene ring and benzene ring are individually essentially planar. The thio-phene ring is disordered over two sites, corresponding to a rotation of approximately 180° about the single C-C bond to which it is attached. The approximate ratio of occupancies for the major and minor components is 0.872 (2):0.128 (2). The major component of the thio-phene ring and the benzene ring are twisted from each other by 13.92 (19)°. An intra-molecular C-H⋯O hydrogen bond generates an S(5)S(5) ring motif. The crystal structure is stabilized by inter-molecular C-H⋯O hydrogen-bonding inter-actions. In addition, a π-π stacking inter-action, with a centroid-centroid distance of 3.852 (2) Å, and short S⋯O [2.9378 (12) Å] and O⋯O [2.5811 (16) Å] contacts are observed.

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1-(2-Fluoro-phen-yl)-3-(2,4,6-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(18)H(17)FO(4), the dihedral angle between the aromatic rings is 32.29?(8)°. The C atoms of the meth-oxy groups deviate from their attached ring plane by 0.018?(2), -0.006?(2) and -0.094?(2)?Å. In the crystal, C-H?O hydrogen bonds link the mol-ecules into C(6) [001] chains.

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

Project description:There are two crystallograpically independent mol-ecules in the asymmetric unit of the title heteroaryl chalcone derivative, C(16)H(16)O(4)S, with slightly different conformations. The thienyl ring of one mol-ecule is disordered over two positions, with a refined site-occupancy ratio of 0.713?(5):0.287?(5). The mol-ecules are twisted: the dihedral angle between the thienyl and benzene rings is 9.72?(19)° in the ordered mol-ecule, and 3.8?(4) and 2.1?(8)° for the major and minor components, respectively, in the disordered mol-ecule. In both mol-ecules, all three substituted meth-oxy groups are coplanar with the benzene ring to which they are attached. In each mol-ecule, a weak intra-molecular C-H?O inter-action generates an S(6) ring motif. In the crystal structure, adjacent mol-ecules are linked into a three-dimensional network by weak C-H?O inter-actions.

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(E)-1-(4-Meth-oxy-phen-yl)-3-(2,4,6-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(19)H(20)O(5), the dihedral angle between the two aromatic rings is 18.23 (4)°. The crystal structure exhibits only weak C-H⋯π and C-H⋯O contacts between the mol-ecules.

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(E)-3-(6-Nitro-benzo[d][1,3]dioxol-5-yl)-1-(2,4,6-trimethoxy-phen-yl)prop-2-en-1-one.

Project description:In the mol-ecule of the title compound, C(19)H(17)NO(8), the benzodioxole unit is oriented at a dihedral angle of 61.45?(6)° with respect to the meth-oxy-substituted phenyl ring. The nitro group is not co-planar to the benzene ring to which it is attached, making a dihedral angle of 31.86?(17)°. In the crystal structure, inter-molecular C-H?O inter-actions link the mol-ecules into chains through R(2) (2)(8) ring motifs. The ??? contacts between the benzodioxole rings, [centroid-centroid distances = 3.7610?(9), 3.6613?(9) and 3.7975?(9)?Å] may further stabilize the structure.

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(2E)-1-(Pyridin-2-yl)-3-(2,4,6-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:The title heteroaryl chalcone derivative, C(17)H(17)NO(4), is a condensation product of 2-acetyl-pyridine and 2,4,6-trimeth-oxy-benzaldehyde. The mol-ecule is roughly planar, the dihedral angle between the pyridine and benzene rings being 5.51?(10)°. All the three meth-oxy groups are almost co-planar with the bound benzene ring [r.m.s. deviation of 0.0306?(2)?Å]. A weak C-H?O intra-molecular inter-action involving one of the ortho-meth-oxy groups generates an S(6) ring motif. In the crystal, the mol-ecules are linked by weak C-H?O inter-actions into anti-parallel face-to-face pairs. Adjacent pairs are further connected into sheets parallel to the ab plane.

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(E)-1-(2-Fur-yl)-3-(2,4,6-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title heteroaryl chalcone derivative, C(16)H(16)O(5), the dihedral angle between the furan and benzene rings is 14.45 (6)°. The three meth-oxy groups are almost coplanar with their attached benzene ring [C-C-O-C torsion angles = 2.07 (17), -5.04 (17) and 2.85 (16)°]. An intra-molecular C-H⋯O hydrogen bond occurs. In the crystal, adjacent mol-ecules are linked into X-shaped chains along the c axis by weak C-H⋯O(enone) inter-actions. These chains are stacked along the b axis. C⋯O [3.3308 (13)-3.4123 (14) Å] short contacts are also observed.

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