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Crystal structures of a series of 6-aryl-1,3-diphenyl-fulvenes.

ABSTRACT: The synthesis and crystal structures of a series of 6-aryl-fuvlenes (fulvene is 5-methyl-idene-cyclo-penta-1,3-diene) with varying methyl-ation patterns on the 6-phenyl substituent are reported, namely 6-(3-methyl-phen-yl)-1,3-di-phenyl-fulvene (C₂₅H₂₀), 6-(4-methyl-phen-yl)-1,3-di-phenyl-fulvene (C₂₅H₂₀), 6-mesityl-3-di-phenyl-fulvene (C₂₇H₂₄) and 6-(2,3,4,5,6-penta-methyl-phen-yl)-1,3-di-phenyl-fulvene (C₂₉H₂₈). The bond lengths are typical of those observed in related fulvenes. A network of C-H⋯π ring inter-actions consolidates the packing in each structure.

SUBMITTER: Peloquin AJ

PROVIDER: S-EPMC6658983 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature

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Crystal structures of a series of 6-aryl-1,3-diphenyl-fulvenes.

Peloquin Andrew J AJ Adas Sonya K SK Iacono Scott T ST Balaich Gary J GJ

Acta crystallographica. Section E, Crystallographic communications 20190521 Pt 6

The synthesis and crystal structures of a series of 6-aryl-fuvlenes (fulvene is 5-methyl-idene-cyclo-penta-1,3-diene) with varying methyl-ation patterns on the 6-phenyl substituent are reported, namely 6-(3-methyl-phen-yl)-1,3-di-phenyl-fulvene (C25H20), 6-(4-methyl-phen-yl)-1,3-di-phenyl-fulvene (C25H20), 6-mesityl-3-di-phenyl-fulvene (C27H24) and 6-(2,3,4,5,6-penta-methyl-phen-yl)-1,3-di-phenyl-fulvene (C29H28</s ...[more]

PMID: 31391978

Similar Datasets

Coordination complexes of chromium(0) with a series of 1,3-diphenyl-6-aryl-fulvenes.

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1,3-Diethyl-1,3-diphenyl-urea.

Project description:The mol-ecule of the title compound, C(17)H(20)N(2)O, a symmetrical derivative of urea, shows non-crystallographic C(2) symmetry. Inter-action with the aromatic system of the phenyl substituents as well as amide-type resonance is responsible for the marked planarization of the coordination environments of the N atoms. C-H⋯O contacts give rise to the formation of centrosymmetric dimers in the crystal structure. The closest distance between the centroids of two adjacent rings is 3.8938 (11) Å.

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Crystal structures of two solvated 2-aryl-3-phenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-ones.

Project description:The synthesis and crystal structures of 2-(4-fluoro-phen-yl)-3-phenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-one toluene hemisolvate (1), C19H13FN2OS·0.5C7H8, and 2-(4-nitro-phen-yl)-3-phenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-one iso-propanol 0.25-solvate 0.0625-hydrate (2), C19H13N3O3S·0.25C3H7O·0.0625H2O, are reported. Both are racemic mixtures (centrosymmetric crystal structures) of the individual com-pounds and incorporate solvent mol-ecules in their structures. Compound 2 has four thia-zine mol-ecules in the asymmetric unit. All the thia-zine rings in this study show an envelope pucker, with the C atom bearing the substituted phenyl ring displaced from the other atoms. The phenyl and aryl rings in each of the mol-ecules are roughly orthogonal to each other, with dihedral angles of about 75°. The extended structures of 1 and 2 are consolidated by C-H⋯O and C-H⋯N(π), as well as T-type (C-H⋯π) inter-actions. Parallel aromatic ring inter-actions (π-π stacking) are observed only in 2.

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2-Bromo-1,3-diphenyl-propan-1,3-dione.

Project description:The title compound, C(15)H(11)BrO(2), exists as a diketone in which the two benzoyl groups are nearly perpendicular to each other [dihedral angles = 79.9 (1) and 87.4 (1)° in the two independent mol-ecules].

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4-(1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-yl)-1,3-diphenyl-1H-pyrazole.

Project description:The title compound, C(30)H(24)N(4), contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003 (1) and 0.066 (1) Å and make a dihedral angle of 73.43 (6)°. The two pyrazole rings make dihedral angles of 40.08 (6), 9.28 (6), 15.78 (8) and 17.25 (7)° with their attached phenyl rings. In the crystal, there are no significant inter-molecular hydrogen-bonding inter-actions. The crystal structure is stabilized by C-H⋯π inter-actions.

| S-EPMC3247563 | biostudies-literature

Crystal structures of the sulfones of 2,3-diphenyl-2,3-di-hydro-4H-1,3-benzo-thia-zin-4-one and 2,3-diphenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-one.

Project description:The title sulfones, 2,3-diphenyl-2,3-di-hydro-4H-1,3-benzo-thia-zine-1,1,4-trione, C20H15NO3S, and 2,3-diphenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zine-1,1,4-trione, C19H14N2O3S, crystallize in space group P21/n with two mol-ecules in each of the asymmetric units and have almost identical unit cells and extended structures. In both structures, the thia-zine rings exhibit a screw-boat pucker. The inter-molecular inter-actions observed are C-H⋯O-type hydrogen bonds and parallel partial π-π stacking between the fused aromatic rings (benzo- or pyrido-) of the core of the mol-ecules within each asymmetric unit, and also connecting to mol-ecules with translational periodicity in the a-axis direction in what can be described as columns (two per asymmetric unit) of stacked mol-ecules with alternating chirality. The pendant phenyl groups of both mol-ecules do not participate in aromatic ring inter-actions.

| S-EPMC9993925 | biostudies-literature

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