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Cytenamide acetic acid solvate.

ABSTRACT: IN THE CRYSTAL STRUCTURE OF THE TITLE COMPOUND (SYSTEMATIC NAME: 5H-dibenzo[a,d]cyclo-hepta-triene-5-carboxamide ethanoic acid solvate), C(16)H(13)NO·C(2)H(4)O(2), the cytenamide and solvent mol-ecules form a hydrogen-bonded R(2) (2)(8) dimer motif, which is further connected to form a centrosymmetric double ring motif arrangement. The cycloheptene ring adopts a boat conformation and the dihedral angle between the least-squares planes through the two aromatic rings is 54.7?(2)°.

SUBMITTER: Johnston A

PROVIDER: S-EPMC2961612 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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Cytenamide acetic acid solvate.

Johnston Andrea A Florence Alastair J AJ Fabianni Francesca J A FJ Shankland Kenneth K Bedford Colin T CT

Acta crystallographica. Section E, Structure reports online 20080530 Pt 6

IN THE CRYSTAL STRUCTURE OF THE TITLE COMPOUND (SYSTEMATIC NAME: 5H-dibenzo[a,d]cyclo-hepta-triene-5-carboxamide ethanoic acid solvate), C(16)H(13)NO·C(2)H(4)O(2), the cytenamide and solvent mol-ecules form a hydrogen-bonded R(2) (2)(8) dimer motif, which is further connected to form a centrosymmetric double ring motif arrangement. The cycloheptene ring adopts a boat conformation and the dihedral angle between the least-squares planes through the two aromatic rings is 54.7 (2)°. ...[more]

PMID: 21202682

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