3-Pyrroline

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A. N. Yankin - One of the best experts on this subject based on the ideXlab platform.

V. L. Gein - One of the best experts on this subject based on the ideXlab platform.

Jan W. Bats - One of the best experts on this subject based on the ideXlab platform.

  • 4,4',4''-(Methane-triyl)triphenyl tris-(2,2,5,5-tetra-methyl-1-oxyl-3-Pyrroline-3-carboxyl-ate) benzene tris-olvate.
    Acta Crystallographica Section E Structure Reports Online, 2010
    Co-Authors: Denise Schuetz, Dominik Margraf, Thomas F. Prisner, Jan W. Bats
    Abstract:

    In the asymmetric unit of the title compound, C46H52N3O9·3C6H6, two of the benzene solvent mol­ecules are located in general positions and two are disposed about inversion centers. One of the benzene mol­ecules on an inversion center was grossly disordered and was excluded using the SQUEEZE subroutine in PLATON [Spek (2009). Acta Cryst. D65, 148–155]. In addition, one of the 2,2,5,5-tetra­methyl-1-oxyl-3-pyrrolin-3-ylcarbonyl groups is disordered over two orientations with refined occupancies of 0.506 (2) and 0.494 (2). The 1-oxyl-3-Pyrroline-3-carboxyl­ate groups are essentially planar, with mean deviations from the planes of 0.026 (2), 0.012 (2), 0.034 (4) and 0.011 (4) A. In the crystal structure, mol­ecules are connected by five weak inter­molecular C—H⋯O and four weak inter­molecular C—H⋯π(benzene) inter­actions.

  • Biphenyl-4,4'-diyl bis-(2,2,5,5-tetra-methyl-1-oxyl-3-Pyrroline-3-carboxyl-ate).
    Acta Crystallographica Section E Structure Reports Online, 2009
    Co-Authors: Dominik Margraf, Denise Schuetz, Thomas F. Prisner, Jan W. Bats
    Abstract:

    In the title compound, C30H34N2O6, the complete molecule is generated by a crystallographic 2/m symmetry operation. The 1-oxyl-3-Pyrroline-3-carboxyl­ate group lies on a mirror plane. The dihedral angle between the ring planes of the biphenyl fragment is constrained by symmetry to be zero, resulting in rather short intramolecular H⋯H contact distances of 2.02 A. In the crystal, molecules are connected along the a-axis direction by very weak intermolecular methyl–phenyl C—H⋯π interactions. The C—H bond is not directed to the center of the benzene ring, but mainly to one C atom [C—H⋯C(x − 1, y, z): H⋯C = 2.91 A and C—H⋯C = 143°].

Xiaofeng Tong - One of the best experts on this subject based on the ideXlab platform.

Zhengjie He - One of the best experts on this subject based on the ideXlab platform.