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(E)-1-(2,4-Dimethyl-quinolin-3-yl)-3-(4-methyl-phen-yl)prop-2-en-1-one.

Prasath R, Bhavana P, Butcher RJ - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: There are π-π inter-actions between these two mol-ecules [centroid-centroid distance = 3.678 (2) Å], as well as a weak C-H⋯O inter-action.The conformation adopted by the two mol-ecules is such that the quinoline mean plane and the benzene ring are almost perpendicular [89.04 (5) and 76.89 (4)°].In each mol-ecule, the methyl group of the tolyl ring is disordered over two conformations, with occupancy ratios of 0.56 (3):0.44 (3) and 0.65 (3):0.35 (3).

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ABSTRACT
In the title compound, C(21)H(19)NO, there are two mol-ecules in the asymmetric unit (Z' = 2). There are π-π inter-actions between these two mol-ecules [centroid-centroid distance = 3.678 (2) Å], as well as a weak C-H⋯O inter-action. The conformation adopted by the two mol-ecules is such that the quinoline mean plane and the benzene ring are almost perpendicular [89.04 (5) and 76.89 (4)°]. In each mol-ecule, the methyl group of the tolyl ring is disordered over two conformations, with occupancy ratios of 0.56 (3):0.44 (3) and 0.65 (3):0.35 (3).

No MeSH data available.


The molecular structure of C21H19NO showing the atom numbering scheme and 30% probability displacement ellipsoids (only the major component for the disordered CH3 substituent shown).
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Fap1: The molecular structure of C21H19NO showing the atom numbering scheme and 30% probability displacement ellipsoids (only the major component for the disordered CH3 substituent shown).


(E)-1-(2,4-Dimethyl-quinolin-3-yl)-3-(4-methyl-phen-yl)prop-2-en-1-one.

Prasath R, Bhavana P, Butcher RJ - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of C21H19NO showing the atom numbering scheme and 30% probability displacement ellipsoids (only the major component for the disordered CH3 substituent shown).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3344610&req=5

Fap1: The molecular structure of C21H19NO showing the atom numbering scheme and 30% probability displacement ellipsoids (only the major component for the disordered CH3 substituent shown).
Bottom Line: There are π-π inter-actions between these two mol-ecules [centroid-centroid distance = 3.678 (2) Å], as well as a weak C-H⋯O inter-action.The conformation adopted by the two mol-ecules is such that the quinoline mean plane and the benzene ring are almost perpendicular [89.04 (5) and 76.89 (4)°].In each mol-ecule, the methyl group of the tolyl ring is disordered over two conformations, with occupancy ratios of 0.56 (3):0.44 (3) and 0.65 (3):0.35 (3).

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(21)H(19)NO, there are two mol-ecules in the asymmetric unit (Z' = 2). There are π-π inter-actions between these two mol-ecules [centroid-centroid distance = 3.678 (2) Å], as well as a weak C-H⋯O inter-action. The conformation adopted by the two mol-ecules is such that the quinoline mean plane and the benzene ring are almost perpendicular [89.04 (5) and 76.89 (4)°]. In each mol-ecule, the methyl group of the tolyl ring is disordered over two conformations, with occupancy ratios of 0.56 (3):0.44 (3) and 0.65 (3):0.35 (3).

No MeSH data available.