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(2E)-1-(2,6-Dichloro-3-fluoro-phen-yl)-3-(4-fluoro-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C(15)H(8)Cl(2)F(2)O, the C=C double bond is in the E configuration. In the cyrstal, C-H?O hydrogen bonds connect the mol-ecules into chains along the c axis. A ?-? inter-action of 3.628?(1)?Å is also observed between two polyhalogenated benzene rings. The dichloro-substituted ring exhibits partial disorder over two sets of sites, with site-occupancy factors of 0.573?(3) and 0.427?(3).

SUBMITTER: Betz R

PROVIDER: S-EPMC3275256 | biostudies-other | 2012 Feb

REPOSITORIES: biostudies-other

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(2E)-1-(2,6-Dichloro-3-fluoro-phen-yl)-3-(4-fluoro-phen-yl)prop-2-en-1-one.

Betz Richard R Gerber Thomas T Hosten Eric E Praveen Aletti S AS Yathirajan Hemmige S HS Narayana Badiadka B

Acta crystallographica. Section E, Structure reports online 20120125 Pt 2

In the title compound, C(15)H(8)Cl(2)F(2)O, the C=C double bond is in the E configuration. In the cyrstal, C-H⋯O hydrogen bonds connect the mol-ecules into chains along the c axis. A π-π inter-action of 3.628 (1) Å is also observed between two polyhalogenated benzene rings. The dichloro-substituted ring exhibits partial disorder over two sets of sites, with site-occupancy factors of 0.573 (3) and 0.427 (3). ...[more]

PMID: 22347112

Similar Datasets

(2E)-1-(2,6-Dichloro-3-fluoro-phen-yl)-3-phenyl-prop-2-en-1-one.

Project description:In the title compound, C(15)H(9)Cl(2)FO, the F atom shows positional disorder over two positions, with site-occupancy factors of 0.747?(4) and 0.253?(4). The dihedral angle between the rings is 86.37?(10)°. In the crystal, C-H?O contacts connect the mol-ecules into chains along the c axis. The shortest inter-centroid distance between two aromatic systems is 3.6686?(12)?Å and is apparent between the halogenated rings.

| S-EPMC3344040 | biostudies-literature

(2E)-1-(2,6-Dichloro-3-fluoro-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(16)H(11)Cl(2)FO(2). The F atom equally populates both meta positions of the 6-dichloro-3-fluoro-phenyl ring in each mol-ecule, resulting in 0.5 occupancy for both the F and H atoms in these positions. The dihedral angle between the mean planes of the benzene rings are 77.5?(2) and 89.8?(8)°in the two mol-ecules. In the crystal, weak C-H?F and C-H?O inter-actions involving the half-occupied H and F atoms are observed. Weak ?-? stacking inter-actions [centroid-centroid distance = 3.150?(2)?Å] also contribute to the crystal stability.

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(2E)-3-[4-(Benz-yloxy)phen-yl]-1-(2,6-dichloro-3-fluoro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C22H15Cl2FO2, a chalcone derivative featuring a threefold-halogenated aromatic substituent, the conformation about the C=C bond is E. In the crystal C-H⋯F and C-H⋯Cl contacts connect the mol-ecules into undulating sheets parallel to (101). In addition, C-H⋯π inter-actions are also present.

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(2E)-3-(2-Fluoro-phen-yl)-1-(4-fluoro-phen-yl)prop-2-en-1-one.

Project description:In the title compouund, C(15)H(10)F(2)O, the mol-ecule exists in an E conformation with respect to the C=C bond [1.3382?(16)?Å]. The dihedral angle between the fluoro-substituted benzene rings is 6.80?(6)° and the whole mol-ecule is roughly planar (r.m.s. deviation for the non-H atoms = 0.069?Å). In the crystal, mol-ecules are linked by C-H?F and C-H?O inter-actions into sheets lying parallel to the bc plane.

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(2E)-1-(4-Amino-phen-yl)-3-(2,4-dichloro-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(15)H(11)Cl(2)NO, is approximately planar (r.m.s. deviation = 0.062?Å) and contains a single C=C double bond in a trans (E) configuration. The crystal packing is stabilized by intermolecular N-H?N and N-H?O inter-molecular hydrogen bonding.

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(2E)-1-(3,4-Dichloro-phen-yl)-3-(2-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(10)Cl(2)O(2), the dihedral angle between the mean planes of the two benzene rings is 7.7?(6)°. The crystal packing is influenced by O-H?O hydrogen bonds, which form chains along [010]. Weak ?-? stacking inter-actions [centroid-centroid distance = 3.6697?(13)?Å] are observed, which may contribute to the crystal packing stability.

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

Project description:In the title compound, C(18)H(16)Cl(2)O(4), the dihedral angle between the benzene rings is 82.40?(4)°. The meth-oxy groups at both meta positions of the 3,4,5-trimeth-oxy-phenyl ring are slightly twisted from the aromatic ring [C-O-C-C = -166.60?(8) and -6.18?(13)°], whereas the meth-oxy group at the para position is almost perpendicular [C-O-C-C = 112.08?(9)°]. The ketone O atom is connected to the 2,4-dichloro-phenyl group through a C(ar)-C(ar)-C-O (ar = aromatic) torsion angle of -116.43?(9)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds into infinite chains along the b axis. The crystal structure also features C-H?? inter-actions.

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(E)-3-(2,6-Dichloro-phen-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(16)H(12)Cl(2)O(2), the dichloro-phenyl and methoxy-phenyl groups are linked by a prop-2-en-1-one group. The C=C double bond is trans configured. The mol-ecule is not planar, as can be seen from the dihedral angle of 6.21?(7)° between the planes of the two rings. The crystal structure can be described by two types of crossed layers which are parallel to (110) and (10).

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(2E)-3-[4-(Dimethyl-amino)-phen-yl]-1-(4-fluoro-phen-yl)prop-2-en-1-one.

Project description:The mean planes of the two benzene rings in the title compound, C(17)H(16)FNO, are twisted slightly, making a dihedral angle of 7.8?(1)°. The prop-2-en-1-one group is also twisted slightly with a C-C-C-O torsion angle of -11.6?(3)°. In the crystal, weak inter-molecular C-H?O inter-actions link pairs of mol-ecules, forming centrosymmetric dimers.

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(E)-3-(4-Chloro-phen-yl)-1-(2,4-dichloro-5-fluoro-phen-yl)prop-2-en-1-one.

Project description:In the title chalcone derivative, C(15)H(8)Cl(3)FO, the dihedral angle between the two benzene rings is 43.35?(8)°. Weak C-H?O and C-H?Cl intra-molecular inter-actions involving the enone group generate S(5) and S(6) ring motifs, respectively. In the crystal structure, mol-ecules are linked into anti-parallel chains along the a axis. These chains are stacked along the b axis and short Cl?F contacts of 3.100?(1)?Å link adjacent mol-ecules of the anti-parallel chains into dimers.

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