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(E)-3-[4-(Dimethyl-amino)-phen-yl]-1-(2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one 0.7-hydrate.

ABSTRACT: In the title compound, C(27)H(24)N(2)O·0.7H(2)O, the quinoline ring system is approximately planar, with a maximum deviation of 0.011?(1)?Å, and forms dihedral angles of 74.70?(4) and 80.14?(4)° with the phenyl and benzene rings, respectively. In the crystal, the mol-ecules are linked to the water mol-ecules via inter-molecular O-H?N hydrogen bonds and further stabilized by C-H?? inter-actions involving the centroid of the benzene ring of the quinoline group. This benzene ring is observed to form a ?-? inter-action with an adjacent pyridine ring [centroid-centroid distance = 3.7120?(6)?Å].

SUBMITTER: Loh WS

PROVIDER: S-EPMC3120557 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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(E)-3-[4-(Dimethyl-amino)-phen-yl]-1-(2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one 0.7-hydrate.

Loh Wan-Sin WS Fun Hoong-Kun HK Sarveswari S S Vijayakumar V V Prasath R R

Acta crystallographica. Section E, Structure reports online 20110525 Pt 6

In the title compound, C(27)H(24)N(2)O·0.7H(2)O, the quinoline ring system is approximately planar, with a maximum deviation of 0.011 (1) Å, and forms dihedral angles of 74.70 (4) and 80.14 (4)° with the phenyl and benzene rings, respectively. In the crystal, the mol-ecules are linked to the water mol-ecules via inter-molecular O-H⋯N hydrogen bonds and further stabilized by C-H⋯π inter-actions involving the centroid of the benzene ring of the quinoline group. This benzene ring is observed to for ...[more]

PMID: 21754884

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

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Project description:The title hydrate, C(27)H(23)NO(2)·H(2)O, features an almost planar quinoline residue (r.m.s. deviation = 0.015?Å) with the benzene [dihedral angle = 63.80?(7) °] and chalcone [C-C-C-O torsion angle = -103.38?(18)°] substituents twisted significantly out of its plane. The configuration about the C=C bond [1.340?(2)?Å] is E. In the crystal, mol-ecules related by the 2(1) symmetry operation are linked along the b axis via water mol-ecules that form O-H?O(c) and O-H?N(q) hydrogen bonds (c = carbonyl and q = quinoline). A C-H?O inter-action also occurs.

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