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

ABSTRACT: In the title compound, C(28)H(19)F(2)NO(4), a polysubstituted terphenyl derivative bearing a Michael system, the C=C double bond has an E configuration. Two C-H⋯F contacts connect mol-ecules into inversion dimers. In addition, a C-H⋯π as well as a C-F⋯π contact can be identified. The shortest centroid-centroid distance between two aromatic rings is 3.9535 (8) Å, between one of the para-fluoro-benzene rings and its symmetry-generated equivalent.

SUBMITTER: Betz R

PROVIDER: S-EPMC3238849 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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(E)-1-(4,4''-Difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-nitro-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 Yathirajan Hemmige S HS

Acta crystallographica. Section E, Structure reports online 20111105 Pt 12

In the title compound, C(28)H(19)F(2)NO(4), a polysubstituted terphenyl derivative bearing a Michael system, the C=C double bond has an E configuration. Two C-H⋯F contacts connect mol-ecules into inversion dimers. In addition, a C-H⋯π as well as a C-F⋯π contact can be identified. The shortest centroid-centroid distance between two aromatic rings is 3.9535 (8) Å, between one of the para-fluoro-benzene rings and its symmetry-generated equivalent. ...[more]

PMID: 22199702

Similar Datasets

(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

(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

(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)-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

(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].

| S-EPMC3239135 | biostudies-literature

(2E)-3-(4-Cyano-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(19)F(2)NO(2), the central benzene ring forms a dihedral angle of 56.92 (12)° with the cyano-benzene ring and dihedral angles of 40.91 (12) and 44.76 (12)° with the two fluoro-benzene rings. In the crystal, C-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules into sheets lying parallel to the ab plane. The crystal packing also features C-H⋯π inter-actions involving the central benzene ring.

| S-EPMC3379440 | 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

(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

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

Project description:In the meta-terphenyl fragment of the title mol-ecule, C(29)H(22)F(2)O(2), the two fluoro-phenyl rings are twisted from the central benzene ring by 46.72 (6) and 41.70 (6)°, respectively. In the crystal, weak C-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules into layers parallel to the ab plane. The crystal packing exhibits π-π inter-actions, the shortest distance between the centroids of aromatic rings being 3.6364 (7) Å.

| S-EPMC3238850 | biostudies-literature

(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.

Project description: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.

| S-EPMC3247397 | biostudies-literature

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