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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 |

REPOSITORIES: biostudies-literature

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

Project description:The synthesis and structural properties of a series of chromium tricarbonyl 'piano-stool' complexes bearing substituted penta-fulvene ligands were studied. The complexes, tricarbon-yl(1,3,6-tri-phenyl-fulvene)chromium(0) benz-ene hemisolvate, [Cr(C24H18)(CO)3]·0.5C6H6 (I), tricarbon-yl[1,3-di-phen-yl-6-(3-vinyl-phen-yl)fulvene]chromium(0), [Cr(C26H20)(CO)3] (II), and tricarbon-yl[1,3-diphenyl-6-(pyren-1-yl)fulvene]chromium(0), [Cr(C34H22)(CO)3] (III), each have a distorted octa-hedral geometry, with the fulvene coordinated in a ?-?2:?-?2:?-?2 fashion. Significant deviation of the exocyclic fulvene double bond from the cyclo-penta-diene plane accompanies coordination. Evidence of non-covalent ?-? inter-actions was observed in both (I) and (III), with centroid-to-centroid distances ranging from 3.330?(8) to 3.494?(8)?Å.

| S-EPMC6127717 | biostudies-literature

Crystal structures of two isomeric 2-aryl-3-phenyl-1,3-thia-zepan-4-ones.

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| S-EPMC6690465 | biostudies-literature

Synthesis of reactive 1,3-diphenyl-6-aryl-substituted fulvene chromophores.

Project description:This data article describes a detailed synthetic strategy and experimental data for the synthesis of brominated fulvene chromophores as reactive precursors/monomers for conjugated organic materials. Metal-mediated coupling reactions of brominated fulvenes would result in conjugated small molecules or polymers that would find application as organic light emitting diodes (OLEDs) and photovoltaic (PV) applications.

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Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-aryl-perfluoro-pyridines.

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| S-EPMC6690456 | biostudies-literature

Crystal structures of three substituted 3-aryl-2-phenyl-2,3-di-hydro-4H-1,3-benzo-thia-zin-4-ones.

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| S-EPMC4971851 | biostudies-literature

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.

| S-EPMC3100078 | biostudies-literature

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.

| S-EPMC6829726 | biostudies-literature

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].

| S-EPMC2959886 | biostudies-literature

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?? inter-actions.

| S-EPMC3247563 | biostudies-literature

Crystal structure of a di-aryl carbonate: 1,3-phenyl-ene bis-(phenyl carbonate).

Project description:The whole mol-ecule of the title compound, C20H14O6, is generated by mirror symmetry, the mirror bis-ecting the central benzene ring. The carbonate groups adopt an s-cis-s-cis conformation, with torsion angles of 58.7?(2) and 116.32?(15)°. The crystal structure of 1,3-phenyl-ene bis-(phenyl carbonate) contains no strong hydrogen bonds, though weak C-H?O and offset ?-? inter-actions are observed, forming layers parallel to the ac plane.

| S-EPMC5730257 | biostudies-literature

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