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

ABSTRACT: In the title compound, C(28)H(19)F(3)O(2), the C=C double bond has an E configuration. In the crystal, C-H?F contacts link the mol-ecules into chains along [111]. The shortest centroid-centroid distance between two ? systems is 3.8087?(8)?Å and is apparent between the para-fluoro-phenyl group attached to the Michael system and its symmetry-generated equivalent.

SUBMITTER: Betz R

PROVIDER: S-EPMC3247397 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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

Betz Richard R Gerber Thomas T Hosten Eric E Samshuddin S S Samshuddin S S Narayana Badiadka B Sarojini Balladka K BK

Acta crystallographica. Section E, Structure reports online 20111022 Pt 11

In the title compound, C(28)H(19)F(3)O(2), the C=C double bond has an E configuration. In the crystal, C-H⋯F contacts link the mol-ecules into chains along [111]. The shortest centroid-centroid distance between two π systems is 3.8087 (8) Å and is apparent between the para-fluoro-phenyl group attached to the Michael system and its symmetry-generated equivalent. ...[more]

PMID: 22220015

Similar Datasets

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

Project description:In the title compound, C(28)H(19)F(3)O(2), the central benzene ring forms dihedral angles of 48.69?(6), 60.93?(6) and 42.06?(6)° with the fluoro-benzene rings. In the crystal, inter-molecular C-H?O and C-H?F hydrogen bonds link the mol-ecules, forming an undulating two-dimensional network parallel to the bc plane. C-H?? inter-actions further consolidate the crystal packing.

| S-EPMC3393293 | biostudies-literature

(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.

| S-EPMC3344658 | biostudies-literature

(2E)-3-(4-Bromo-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, C28H19BrF2O2, the C=C double bond is E-configured. In the crystal, C-H?O and C-H?F contacts connect mol-ecules into planes perpendicular to the c axis. The shortest centroid-centroid distance between two aromatic systems is 3.6745?(12)?Å between one of the para-fluoro-phenyl rings and its symmetry-generated equivalent.

| S-EPMC3589015 | biostudies-literature

(2E)-3-(2-Bromo-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(28)H(19)BrF(2)O(2), the central benzene ring makes dihedral angles of 62.51 (18), 46.23 (18) and 48.19 (18)° with the bromo-substituted benzene ring and two terminal fluoro-substituted benzene rings, respectively. In the crystal, mol-ecules are linked by C-H⋯F hydrogen bonds into infinite chains along [110]. Weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.683 (2) Å] also occur and short inter-molecular F⋯F contacts [2.833 (4) Å] are observed.

| S-EPMC3344456 | biostudies-literature

(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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(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.

Project description: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.

| S-EPMC3414306 | biostudies-literature

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

Project description:The title compound, C(28)H(20)F(2)O(2), is a polysubstituted terphenyl derivative bearing a Michael system. The C=C double bond is E configured. In the crystal, C-H⋯O and C-H⋯F contacts connect the mol-ecules, forming undulating sheets that lie perpendicular to the crystallographic a axis. The shortest π-π inter-action [centroid-centroid distance = 3.7163 (7) Å] involves the para-fluoro-phenyl ring in the para position to the Michael system, and its symmetry-generated equivalent.

| S-EPMC3238831 | biostudies-literature

(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.

Project description:The title compound, C(29)H(22)F(2)O(3), is a meta-terphenyl derivative featuring a Michael-system-derived substituent with an E-configured C=C function. In the crystal, C-H⋯O and C-H⋯F contacts connect the mol-ecules into planes parallel to (101). The shortest centroid-centroid distance between two aromatic systems is 3.7169 (7) Å and is apparent between the terminal benzene ring of the Michael-system-derived substituent and its symmetry-generated equivalent.

| S-EPMC3238973 | biostudies-literature

(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].

| S-EPMC3238976 | biostudies-literature

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

Project description:The title compound, C(28)H(19)ClF(2)O(2), is a polysubstituted terphenyl derivative bearing a Michael system in which the C=C double bond has an E conformation. In the crystal, C-H⋯Cl and C-H⋯O contacts connect the mol-ecules into layers lying perpendicular to the a axis. The shortest inter-centroid distance between symmetry-related 4-fluoro-phenyl groups is 3.7547 (16) Å.

| S-EPMC3344640 | biostudies-literature

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