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(2E)-1-(4-Methyl-phen-yl)-3-(2,3,5-trichloro-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title mol-ecule, C(16)H(11)Cl(3)O, the dihedral angle between the two benzene rings is 33.2 (1)°. The crystal packing is stabilized by C-H⋯O hydrogen bonds.

SUBMITTER: Thiruvalluvar A

PROVIDER: S-EPMC2915018 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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(2E)-1-(4-Methyl-phen-yl)-3-(2,3,5-trichloro-phen-yl)prop-2-en-1-one.

Thiruvalluvar A A Subramanyam M M Butcher R J RJ Karegoudar Prakash P Holla B Shivarama BS

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title mol-ecule, C(16)H(11)Cl(3)O, the dihedral angle between the two benzene rings is 33.2 (1)°. The crystal packing is stabilized by C-H⋯O hydrogen bonds. ...[more]

PMID: 21200937

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(2E)-3-(4-Methyl-phen-yl)-1-(3-nitro-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(16)H(13)NO(3), crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 4-methyl-phenyl and 3-nitro-phenyl groups is 4.0 (3)° in mol-ecule A and 16.2 (7)° in mol-ecule B. Inter-molecular C-H⋯O hydrogen bonding involving the O atoms of the 3-nitro-phenyl group of both independent mol-ecules link the mol-ecules into layers approximately parallel to the (110) plane. The layers are held together by π-π stacking inter-actions between the 4-methyl-phenyl ring of mol-ecule A and the 3-nitro-phenyl ring of mol-ecule B of the adjacent layer, with the distance between the centroids of inter-acting rings being 3.6987 (7) Å.

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(2E)-1-[2-Hydr-oxy-4-(2-methyl-prop-oxy)phen-yl]-3-(4-methyl-phen-yl)prop-2-en-1-one.

Project description:The benzene rings in the title compound, C(20)H(22)O(3), form a dihedral angle of 10.39 (8)°. Overall, the mol-ecule is approximately planar with the exception of one of the terminal methyl groups; excluding this group, the r.m.s. deviation for the remaining 22 non-H atoms is 0.0968 Å. The conformation about the C=C bond is E, and an intra-molecular O-H⋯O hydrogen bond leads to the formation of an S(6) motif. In the crystal, linear supra-molecular chains are formed along the a axis via C-H⋯O contacts, and these are connected into double chains via C-H⋯π inter-actions.

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(2E)-3-(4-Fluoro-phen-yl)-1-[5-methyl-1-(4-methyl-phen-yl)-1H-1,2,3-triazol-4-yl]prop-2-en-1-one.

Project description:With respect to the triazole ring in the title compound, C19H16FN3O, the p-tolyl ring is inclined [dihedral angle = 51.79?(11)°], whereas the chalcone residue is almost coplanar [O-C-C-N and C-C-C-C torsion angles = -178.71?(19) and 178.42?(18)°, respectively]. The conformation about the C=C bond [1.328?(3)?Å] is E, and the triazole methyl group and the carbonyl O atom are syn. In the crystal, centrosymmetrically related mol-ecules are connected by ?-? inter-actions between the triazole and p-tolyl rings [centroid-centroid distance = 3.6599?(12)?Å] and these are linked into a three-dimensional architecture by C-H?N and C-H?? inter-actions.

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(2E)-3-(3-Bromo-4-meth-oxy-phen-yl)-1-(4-methyl-phen-yl)prop-2-en-1-one.

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(2E)-1-(2-Hy-droxy-5-methyl-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

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

Project description:In the title chalcone derivative, C(15)H(8)Cl(4)O, the C=C double bond exists in an E configuration and the dihedral angle between the two benzene rings is 48.13 (11)°. In the crystal, mol-ecules are arranged into columns and stacked down the a axis featuring possible weak aromatic π-π stacking inter-actions [centroid-centroid separation = 3.888 (2) Å].

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(2E)-3-(3-Benzyl-oxyphen-yl)-1-(2-hydroxy-5-methyl-phen-yl)prop-2-en-1-one.

Project description:In the mol-ecule of the title compound, C(23)H(20)O(3), an intra-molecular O-H⋯O hydrogen bond generates an S(6) ring. The central benzene ring makes dihedral angles of 80.17 (8) and 16.99 (7)°, respectively, with the benz-yloxy and hy-droxy-methyl phenyl rings. In the crystal, mol-ecules are linked via inter-molecular C-H⋯O hydrogen bonds to form dimers. The dimers are connected by C-H⋯O hydrogen bonds and C-H⋯π inter-actions to form columns down the b axis.

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