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

ABSTRACT: In the title compound, C(16)H(15)BrO(4)S, the dihedral angle between the thio-phene and benzene rings is 13.08?(16)°. The C atoms of the meta meth-oxy groups of the substituted benzene ring lie close to the plane of the ring [displacements = 0.049?(5) and -0.022?(4)?Å], whereas the para-C atom is significantly displaced [-1.052?(4)?Å]. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, forming C(11) chains propagating in [100].

SUBMITTER: Vepuri SB

PROVIDER: S-EPMC3239100 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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

Vepuri Suresh B SB Devarajegowda H C HC Al-Eryani Waleed Fadl Ali WF Lavanya K K Anbazhagan S S

Acta crystallographica. Section E, Structure reports online 20111130 Pt 12

In the title compound, C(16)H(15)BrO(4)S, the dihedral angle between the thio-phene and benzene rings is 13.08 (16)°. The C atoms of the meta meth-oxy groups of the substituted benzene ring lie close to the plane of the ring [displacements = 0.049 (5) and -0.022 (4) Å], whereas the para-C atom is significantly displaced [-1.052 (4) Å]. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming C(11) chains propagating in [100]. ...[more]

PMID: 22199948

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

Project description:In the chalcone title compound, C(18)H(17)BrO(4), the dihedral angle between the mean planes of the 2-bromo- and 3,4,5-trimethoxy-substituted benzene rings is 89.3?(1)°. The angles between the mean plane of the prop-2-en-1-one group and the 2-bromo-phenyl and 3,4,5-trimeth-oxy-phenyl ring planes are 59.7?(1) and 40.5?(8)°, respectively. While no classical hydrogen bonds are present, three weak inter-molecular C-H?O inter-actions and weak C-H?Br and C-H?Cg ?-ring stacking inter-actions [C-H?Cg distance = 3.377?(2)?Å] are observed, which contribute to the stability of crystal packing.

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

Project description:In the title compound, C(16)H(15)IO(4)S, the dihedral angle between the thio-phene and benzene rings is 11.50?(2)°. The methoxy O atoms deviate by 0.0060?(2), -0.1319?(2) and 0.0426?(2)?Å from the phenyl ring plane. The crystal packing features C-H?O hydrogen bonds, which link the molecules into C(11) chains propagating in [100xxx].

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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.

Project description:In the title compound, C(16)H(15)BrO(4)S, the thio-phene ring is not coplanar with the benzene ring; the dihedral angle between the two planes is 11.08 (12)°. The crystal structure is characterized by C-H⋯O inter-actions. Weak intra-molecular C-H⋯O hydrogen bonds also occur.

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

Project description:In the title chalcone derivative, C(20)H(22)O(6), the dihedral angle between the mean planes of the benzene rings is 15.77?(6)°. The H atoms of the central C=C double bond are in a trans configuration. There are a number of C-H?O interactions and a C-H?? interaction present in the crystal structure.

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

Project description:The title compound, C(19)H(20)O(5), was synthesized by reaction of 4-meth-oxy-acetophenone and 3,4,5-trimeth-oxy-benzaldehyde. The aromatic rings form a dihedral angle of 36.39?(7)°. Two intramolecular C-H?O hydrogen bonds occur. The crystal packing features weak C-H?O inter-actions.

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Project description:The mol-ecule of the title chalcone derivative, C(21)H(20)O(5), consists of two substituted aromatic rings bridged by a prop-2-en-1-one group. The dihedral angle between the two benzene rings is 28.7 (7)°. In the crystal, mol-ecules are linked into C(10) chains running along the a axis by inter-molecular C-H⋯O hydrogen bonds, and the chains are cross-linked via C-H⋯π inter-actions.

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

Project description:In the asymmetric unit of the title chalcone derivative, C(18)H(19)NO(4), there are three crystallographically independent mol-ecules (mol-ecules A, B and C). In mol-ecule A, the dihedral angle between two benzene rings is 12.22 (10)° and the plane of the central prop-2-en-1-one unit makes dihedral angles of 11.02 (13) and 2.64 (12)° with the two adjacent benzene rings. The corresponding angles in mol-ecule B are 12.35 (10), 18.78 (12) and 7.29 (12)°, respectively, and those in mol-ecule C are 15.40 (10), 15.62 (3) and 3.19 (13)°. In each mol-ecule, an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, the mol-ecules B are linked by inter-molecular N-H⋯O hydrogen bonds into a zigzag chain along the c axis, while the mol-ecules A and C are linked together via an N-H⋯O hydrogen bond into a dimer. Adjacent dimers are further connected by N-H⋯N hydrogen bonds into a three-dimensional network. Weak C-H⋯O and C-H⋯π inter-actions are also observed.

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

Project description:In the title compound, C(18)H(16)Cl(2)O(4), the dihedral angle between the benzene rings is 82.40 (4)°. The meth-oxy groups at both meta positions of the 3,4,5-trimeth-oxy-phenyl ring are slightly twisted from the aromatic ring [C-O-C-C = -166.60 (8) and -6.18 (13)°], whereas the meth-oxy group at the para position is almost perpendicular [C-O-C-C = 112.08 (9)°]. The ketone O atom is connected to the 2,4-dichloro-phenyl group through a C(ar)-C(ar)-C-O (ar = aromatic) torsion angle of -116.43 (9)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into infinite chains along the b axis. The crystal structure also features C-H⋯π inter-actions.

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

Project description:The title mol-ecule, C(16)H(16)O(5), is twisted; the dihedral angle between the furan and 3,4,5-trimeth-oxy-phenyl rings is 12.14?(13)°. The two meth-oxy groups at the meta positions of the benzene ring are close to being coplanar with the ring [C-O-C-C = -0.6?(3) and 1.4?(3)°], whereas the third meth-oxy group, at the para position, is (+)-anti-clinal with respect to the benzene ring [C-O-C-C = 104.9?(2)°]. In the crystal, mol-ecules are linked by weak C-H?O bonds to stack along the b axis and further C-H?O inter-actions consolidate the structure.

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

Project description:In the title heteroaryl chalcone derivative, C(17)H(17)NO(4), the dihedral angle between the pyridine and benzene rings is 10.82 (5)°. The two meth-oxy groups at the meta positions are essentially coplanar with the attached benzene rings [C-O-C-C torsion angles = -0.97 (14) and 179.47 (9)°], whereas the meth-oxy group at the para position is twisted from the attached ring with a C-O-C-C torsion angle of -104.48 (11)°. A C-H⋯O close contact involving two of the meth-oxy groups generates an S(6) ring motif. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions into columns along the b axis.

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