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(3E,5E)-1-Acryloyl-3,5-bis-(2,4-dichloro-benzyl-idene)piperidin-4-one hemihydrate.

ABSTRACT: The asymmetric unit of the title compound, C(22)H(15)Cl(4)NO(2)·0.5H(2)O, consists of a (3E,5E)-1-acryloyl-3,5-bis-(2,4-dichloro-benzyl-idene)piperidin-4-one mol-ecule and a half-mol-ecule of water (the O atom of the water mol-ecule lies on a twofold axis). The piperidin-4-one ring adopts an envelope conformation. The dihedral angle between the two terminal benzene rings is 8.84?(11)°. In the crystal, mol-ecules are connected by C-H?O hydrogen bonds forming supra-molecular chains along the c axis. Furthermore, adjacent chains are inter-connected by the water mol-ecules via O-H?O hydrogen bonds.

SUBMITTER: Basiri A

PROVIDER: S-EPMC3120482 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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(3E,5E)-1-Acryloyl-3,5-bis-(2,4-dichloro-benzyl-idene)piperidin-4-one hemihydrate.

Basiri Alireza A Murugaiyah Vikneswaran V Osman Hasnah H Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

The asymmetric unit of the title compound, C(22)H(15)Cl(4)NO(2)·0.5H(2)O, consists of a (3E,5E)-1-acryloyl-3,5-bis-(2,4-dichloro-benzyl-idene)piperidin-4-one mol-ecule and a half-mol-ecule of water (the O atom of the water mol-ecule lies on a twofold axis). The piperidin-4-one ring adopts an envelope conformation. The dihedral angle between the two terminal benzene rings is 8.84 (11)°. In the crystal, mol-ecules are connected by C-H⋯O hydrogen bonds forming supra-molecular chains along the c axi ...[more]

PMID: 21754705

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