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4-[(Hy-droxy)(4-methyl-phen-yl)methyl-idene]isochroman-1,3-dione.

ABSTRACT: In the title compound, C(17)H(12)O(4), the six-membered heterocyclic ring adopts a distorted screw-boat conformation. The mol-ecular structure exhibits an S(6) ring motif, owing to an intra-molecular O-H?O hydrogen bond. In the crystal, weak C-H?O contacts generate an infinite chain along the c axis. There are also ?-? stacking inter-actions between neighbouring isochromanedione benzene rings, with a centroid-centroid distance of 3.755?(1)?Å, and C-O?? inter-actions with an O?centroid distance of 3.964?(2)?Å.

SUBMITTER: Abou A

PROVIDER: S-EPMC3254283 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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4-[(Hy-droxy)(4-methyl-phen-yl)methyl-idene]isochroman-1,3-dione.

Abou Akoun A Djandé Abdoulaye A Saba Adama A Chiavassa Thierry T Kakou-Yao Rita R

Acta crystallographica. Section E, Structure reports online 20111203 Pt 1

In the title compound, C(17)H(12)O(4), the six-membered heterocyclic ring adopts a distorted screw-boat conformation. The mol-ecular structure exhibits an S(6) ring motif, owing to an intra-molecular O-H⋯O hydrogen bond. In the crystal, weak C-H⋯O contacts generate an infinite chain along the c axis. There are also π-π stacking inter-actions between neighbouring isochromanedione benzene rings, with a centroid-centroid distance of 3.755 (1) Å, and C-O⋯π inter-actions with an O⋯centroid distance o ...[more]

PMID: 22259535

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