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(2E)-1-(4,4''-Difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)-3-[4-(methyl-sulfan-yl)phen-yl]prop-2-en-1-one.

ABSTRACT: In the title compound, C(29)H(22)F(2)O(2)S, the central benzene ring makes dihedral angles of 45.83?(7), 38.90?(7) and 55.50?(7)° with the two fluoro-substituted benzene rings and the methyl-sulfanyl-substituted benzene ring, respectively. In the crystal, C-H?O contacts connect the mol-ecules into layers lying perpendicular to the c axis. In addition, ?-? stacking inter-actions between one of the fluoro-phenyl groups [centroid-centroid distances = 3.681?(1) and 3.818?(1)?Å] are observed.

SUBMITTER: Kant R

PROVIDER: S-EPMC3414306 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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(2E)-1-(4,4''-Difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)-3-[4-(methyl-sulfan-yl)phen-yl]prop-2-en-1-one.

Kant Rajni R Gupta Vivek K VK Kapoor Kamini K Samshuddin S S Samshuddin S S Narayana B B

Acta crystallographica. Section E, Structure reports online 20120707 Pt 8

In the title compound, C(29)H(22)F(2)O(2)S, the central benzene ring makes dihedral angles of 45.83 (7), 38.90 (7) and 55.50 (7)° with the two fluoro-substituted benzene rings and the methyl-sulfanyl-substituted benzene ring, respectively. In the crystal, C-H⋯O contacts connect the mol-ecules into layers lying perpendicular to the c axis. In addition, π-π stacking inter-actions between one of the fluoro-phenyl groups [centroid-centroid distances = 3.681 (1) and 3.818 (1) Å] are observed. ...[more]

PMID: 22904839

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(2E)-1-(4,4''-Difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)-3-(2,6-difluoro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(28)H(18)F(4)O(2), the central benzene ring makes dihedral angles of 44.27 (6), 56.33 (5) and 77.27 (6)° with the two adjacent fluoro-benzene rings and terminal difluoro-substituted benzene ring, respectively. The dihedral angle between the fluoro-benzene rings is 87.81 (6)°. The meth-oxy and prop-2-en-1-one groups are essentially coplanar with their attached benzene rings, as indicated by their C-O-C(ar)-C(ar) [-0.06 (15)°] and C-C-C(ar)-C(ar) [4.5 (2)°] (ar = aromatic) torsion angles. In the crystal, mol-ecules are linked by C-H⋯F and C-H⋯O hydrogen bonds into sheets lying parallel to the ac plane. The crystal structure also features C-H⋯π inter-actions.

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(2E)-3-(3-Bromo-4-meth-oxy-phen-yl)-1-(4,4''-difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one.

Project description:In the title compound, C(29)H(21)BrF(2)O(3), the dihedral angles between the central anisole ring and the pendant fluoro-benzene rings are 48.86 (19) and 31.89 (18)°. The dihedral angle between the anisole ring and the 1-bromo-2-meth-oxy-benzene ring linked via the enone bridge is 82.95 (17)°. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into C(11) chains propagating along [010].

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(E)-1-(4,4''-Difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

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(E)-1-(4,4''-Difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)-3-(6-meth-oxy-naphthalen-2-yl)prop-2-en-1-one.

Project description:In the title compound, C(33)H(24)F(2)O(3), the central benzene ring makes dihedral angles of 44.71 (10), 47.80 (10) and 63.68 (9)° with the two fluoro-substituted benzene rings and the naphthalene ring system, respectively. In the crystal, mol-ecules are connected via inter-molecular C-H⋯F and C-H⋯O hydrogen bonds. Furthermore, the crystal structure is stabilized by weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.6816 (13) Å].

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