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

ABSTRACT: In the title mol-ecule, C(16)H(15)ClO(4)S, the chloro-thio-phene and trimeth-oxy-phenyl rings make a dihedral angle of 31.12?(5)°. The C=C double bond exhibits an E conformation. In the crystal, C-H?O inter-actions generate bifurcated bonds, linking the mol-ecules into chains along the b axis.

SUBMITTER: Prabhu AN

PROVIDER: S-EPMC3213527 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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

Prabhu A N AN Jayarama A A Row T N Guru TN Upadhyaya V V

Acta crystallographica. Section E, Structure reports online 20110723 Pt 8

In the title mol-ecule, C(16)H(15)ClO(4)S, the chloro-thio-phene and trimeth-oxy-phenyl rings make a dihedral angle of 31.12 (5)°. The C=C double bond exhibits an E conformation. In the crystal, C-H⋯O inter-actions generate bifurcated bonds, linking the mol-ecules into chains along the b axis. ...[more]

PMID: 22091106

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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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Project description:In the title compound, C(15)H(13)ClO(3)S, the chloro-thio-phene and dimeth-oxy-phenyl groups are linked by a prop-2-en-1-one group. The C=C double bond exhibits an E conformation. The mol-ecule is non-planar, with a dihedral angle of 31.12?(5)° between the chloro-thio-phene and dimeth-oxy-phenyl rings. The meth-oxy group at position 3 is coplanar with the benzene ring to which it is attached, with a C-O-C-C torsion angle of -3.8?(3)°. The meth-oxy group attached at position 2 of the benzene ring is in a (+)synclinal conformation, as indicated by the C-O-C-C torsion angle of -73.6?(2)°. In the crystal, two different C-H?O inter-molecular inter-actions generate chains of mol-ecules extending along the b axis.

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Project description:Mol-ecules of the title amino-chalcone, C(18)H(19)NO(4), are twisted, with a dihedral angle of 11.26?(6)° between the 4-amino-phenyl and 2,4,5-trimeth-oxy-phenyl rings. The conformations of the three meth-oxy groups with respect to the benzene ring are slightly different. Two meth-oxy groups are almost coplanar with the attached benzene ring [C-O-C-C torsion angles of -1.45?(19) and 1.5?(2)°], while the third is (-)-synclinal with the attached benzene ring [C-O-C-C = -81.36?(17)°]. In the crystal structure, mol-ecules are stacked into columns along the b axis and mol-ecules in adjacent columns are linked by N-H?O hydrogen bonds into V-shaped double columns. Weak ?-? inter-actions are also observed, with a centroid-centroid distance of 3.7532?(8)?Å.

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Project description:In the title compound, C(18)H(20)O(4)S, the thio-phene and benzene rings are oriented at a dihedral angle of 10.83?(11)°. The central chain makes dihedral angles of 1.86?(13) and 9.25?(12)° with the benzene and thio-phene rings, respectively. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O inter-actions. ?-? inter-actions are also observed between the benzene rings with a centroid-centroid distance of 3.6832?(12)?Å. The slippage between the benzene rings is 0.956?Å.

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