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N-(4-tert-Butyl-benz-yl)phthalimide.

Li JS, Simpson J, Li X - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: The methyl groups of the tert-butyl substituent are disordered over two sets of positions, with an occupancy ratio of 0.700 (4):0.300 (4).In the crystal, inter-molecular C-H⋯O hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers.An additional weak C-H⋯O contact, together with weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.961 (2) Å] generate a three-dimensional network.

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ABSTRACT
The mol-ecule of the title compound [systematic name: 2-(4-tert-butyl-benz-yl)isoindoline-1,3-dione], C(19)H(19)NO(2), is V-shaped with a dihedral angle of 74.15 (7)° between the mean planes of the phthalimide unit and the benzene ring. The methyl groups of the tert-butyl substituent are disordered over two sets of positions, with an occupancy ratio of 0.700 (4):0.300 (4). In the crystal, inter-molecular C-H⋯O hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers. An additional weak C-H⋯O contact, together with weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.961 (2) Å] generate a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of (I) showing displacement ellipsoids drawn at the 30% probability level and H atoms shown as small spheres of arbitrary radius. Only the major disorder component of the disordered methyl groups is shown.
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Fap1: The molecular structure of (I) showing displacement ellipsoids drawn at the 30% probability level and H atoms shown as small spheres of arbitrary radius. Only the major disorder component of the disordered methyl groups is shown.


N-(4-tert-Butyl-benz-yl)phthalimide.

Li JS, Simpson J, Li X - Acta Crystallogr Sect E Struct Rep Online (2009)

The molecular structure of (I) showing displacement ellipsoids drawn at the 30% probability level and H atoms shown as small spheres of arbitrary radius. Only the major disorder component of the disordered methyl groups is shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977282&req=5

Fap1: The molecular structure of (I) showing displacement ellipsoids drawn at the 30% probability level and H atoms shown as small spheres of arbitrary radius. Only the major disorder component of the disordered methyl groups is shown.
Bottom Line: The methyl groups of the tert-butyl substituent are disordered over two sets of positions, with an occupancy ratio of 0.700 (4):0.300 (4).In the crystal, inter-molecular C-H⋯O hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers.An additional weak C-H⋯O contact, together with weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.961 (2) Å] generate a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The mol-ecule of the title compound [systematic name: 2-(4-tert-butyl-benz-yl)isoindoline-1,3-dione], C(19)H(19)NO(2), is V-shaped with a dihedral angle of 74.15 (7)° between the mean planes of the phthalimide unit and the benzene ring. The methyl groups of the tert-butyl substituent are disordered over two sets of positions, with an occupancy ratio of 0.700 (4):0.300 (4). In the crystal, inter-molecular C-H⋯O hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers. An additional weak C-H⋯O contact, together with weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.961 (2) Å] generate a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus