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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

Similar Datasets

(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?? 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)-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-(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 ? 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

(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?? and ?-? 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].

| S-EPMC3239135 | 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

(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?? inter-actions involving the central benzene ring.

| S-EPMC3379440 | biostudies-other

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