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Crystal structure and Hirshfeld surface analysis of 6-benzoyl-3,5-di-phenyl-cyclo-hex-2-en-1-one.

ABSTRACT: In the title compound, C25H20O2, the central cyclo-hexenone ring adopts an envelope conformation. The mean plane of the cyclo-hexenone ring makes dihedral angles of 87.66?(11) and 23.76?(12)°, respectively, with the two attached phenyl rings, while it is inclined by 69.55?(11)° to the phenyl ring of the benzoyl group. In the crystal, the mol-ecules are linked by C-H?O and C-H?? inter-actions, forming a three-dimensional network.

SUBMITTER: Naghiyev FN

PROVIDER: S-EPMC7199244 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 6-benzoyl-3,5-di-phenyl-cyclo-hex-2-en-1-one.

Naghiyev Farid N FN Akkurt Mehmet M Askerov Rizvan K RK Mamedov Ibrahim G IG Rzayev Rovnag M RM Chyrka Taras T Maharramov Abel M AM

Acta crystallographica. Section E, Crystallographic communications 20200421 Pt 5

In the title compound, C25H20O2, the central cyclo-hexenone ring adopts an envelope conformation. The mean plane of the cyclo-hexenone ring makes dihedral angles of 87.66 (11) and 23.76 (12)°, respectively, with the two attached phenyl rings, while it is inclined by 69.55 (11)° to the phenyl ring of the benzoyl group. In the crystal, the mol-ecules are linked by C-H⋯O and C-H⋯π inter-actions, forming a three-dimensional network. ...[more]

PMID: 32431939

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Crystal structure and Hirshfeld surface analysis of 3,3',3''-[(1,3,5-triazine-2,4,6-tri-yl)tris-(-oxy)]tris-(5,5-di-methyl-cyclo-hex-2-en-1-one).

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Syntheses and structures of two benzoyl amides: 2-chloro-4-eth-oxy-3,5-dimeth-oxy-N-(3-oxo-cyclo-hex-1-en-1-yl)benzamide and 2-chloro-N-(5,5-dimethyl-3-oxo-cyclo-hex-1-en-1-yl)-4-eth-oxy-3,5-di-meth-oxy-benzamide.

Project description:The first title benzoyl amide, C17H20ClNO5 (3a), crystallizes in the monoclinic space group P21/c with Z = 4 and the second, C19H24ClNO5 (3b), also crystallizes in P21/c with Z = 8 (Z' = 2), thus there are two independent mol-ecules in the asymmetric unit. In 3a, the phenyl ring makes a dihedral angle of 50.8 (3)° with the amide moiety with the C=O group on the same side of the mol-ecule as the C-Cl group. One meth-oxy group is almost in the plane of the benzene ring, while the eth-oxy and other meth-oxy substituent are arranged on opposite sides of the ring with the eth-oxy group occupying the same side of the ring as the C=O group in the amide moiety. For one of the two mol-ecules in 3b, both the amide and 5,5-dimethyl-3-oxo-cyclo-hex-1-en-1-yl moieties are disordered over two sets of sites with occupancies of 0.551 (2)/0.449 (2) with the major difference between the two conformers being due to the conformation adopted by the cyclo-hex-2-en-1-one ring. The three mol-ecules in 3b (i.e., the undisordered mol-ecule and the two disorder components) differ in the arrangement of the subsituents on the phenyl ring and the conformation adopted by their 5,5-dimethyl-3-oxo-cyclo-hex-1-en-1-yl moieties. In the crystal of 3a, N-H⋯O hydrogen bonds link the mol-ecules into a zigzag chain propagating in the [001] direction. For 3b a combination of C-H⋯O and N-H⋯O inter-molecular inter-actions link the mol-ecules into a zigzag ribbon propagating in the [001] direction.

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Crystal structure of dimethyl 3,4,5,6-tetra-phenyl-cyclo-hexa-3,5-diene-1,2-di-carboxyl-ate.

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3-Hy-droxy-2-[(4-hy-droxy-3,5-dimeth-oxy-phen-yl)(2-hy-droxy-4,4-dimethyl-6-oxo-cyclo-hex-1-en-1-yl)meth-yl]-5,5-dimethyl-cyclo-hex-2-en-1-one.

Project description:In the title compound, C(25)H(32)O(7), the 3-hy-droxy-5,5-dimethyl-cyclo-hex-2-enone rings adopt slightly distorted envelope conformations with the two planes at the base of the envelope forming dihedral angles of 57.6?(4) and 53.9?(9)° with the benzene ring. There is an intra-molecular hy-droxy-ketone O-H?O inter-action between the two substituted cyclo-hexane rings as well as a short intra-molecular phenol-meth-oxy O-H?O inter-action.

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3-(4-Chloro-anilino)-5,5-dimethyl-cyclo-hex-2-en-1-one.

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3-(4-Chloro-anilino)-2,5-dimethyl-cyclo-hex-2-en-1-one.

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