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

ABSTRACT: 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.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2961420 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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

Fun Hoong-Kun HK Chantrapromma Suchada S Patil P S PS Karthikeyan M S MS Dharmaprakash S M SM

Acta crystallographica. Section E, Structure reports online 20080503 Pt 6

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. ...[more]

PMID: 21202688

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

Project description:In the title chalcone derivative, C(15)H(9)Cl(3)O, the dihedral angle between the 2-chloro-phenyl and 2,4-dichloro-phenyl rings is 41.79?(14)°. Weak C-H?O and C-H?Cl intra-molecular inter-actions involving the enone unit generate S(5) ring motifs. In the crystal structure, the mol-ecules are arranged in a head-to-tail manner along the a axis. These chains are stacked along the b axis.

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

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

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(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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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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3-(2-Chloro-6-fluoro-phen-yl)-1-(2-thien-yl)prop-2-en-1-one.

Project description:The title chalcone derivative, C(13)H(8)ClFOS, crystallized as an inversion twin with two independent mol-ecules in the asymmetric unit. The thio-phene rings in both mol-ecules are disordered over two sites: the ratios of occupancies for the major and minor components in the two mol-ecules are 0.820 (2):0.180 (2) and 0.853 (2):0.147 (2). The dihedral angles between the major and minor components of the thio-phene and benzene rings are 1.13 (18) and 2.2 (6)°, respectively, in one mol-ecule, with corresponding values 6.09 (17) and 1.3 (6)° in the other. Weak intra-molecular C-H⋯O and C-H⋯F inter-actions involving the prop-2-en-1-one group generate an S(5)S(5) ring motif, whereas a weak intra-molecular C-H⋯Cl contact generates an S(6) ring motif. In the crystal structure, mol-ecules of both the major and minor components are linked into infinite one-dimensional chains along the b axis. The crystal structure is stabilized by weak C-H⋯O, C-H⋯F, C-H⋯Cl and C-H⋯π inter-actions.

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

Project description:In the title compound, C(15)H(10)ClFO, the fluoro-substituted benzene ring forms a dihedral angle of 44.41?(6)° with the chloro-substituted benzene ring. The only significant directional bonds in the crystal are weak C-H?? inter-actions.

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