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Ethyl (Z)-4'-(4-eth-oxy-1-hy-droxy-3,4-dioxobut-1-en-1-yl)-[1,1'-biphen-yl]-3-carboxyl-ate.

ABSTRACT: The 1,3-diketone group of the title compound, C21H20O6, exists in a keto-enol form stabilized by a strong intra-molecular O-H?O hydrogen bond. As a result, a planar (mean deviation = 0.0099?Å) six-membered hydrogen-bonded ring is formed. The C-O and C-C bond lengths suggest significant electron delocalization in the ring. The dihedral angle between the six-membered hydrogen-bonded ring and its adjacent benzene ring is 8.78?(5)° and that between the benzene rings is 19.70?(5)°. In the crystal, mol-ecules are packed in a layered structure parallel to the b axis through C-H?O and ?-? inter-actions [centroid-centroid distance between stacked benzene rings = 3.868?(2)?Å].

SUBMITTER: Ishikawa Y 

PROVIDER: S-EPMC3793735 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Ethyl (Z)-4'-(4-eth-oxy-1-hy-droxy-3,4-dioxobut-1-en-1-yl)-[1,1'-biphen-yl]-3-carboxyl-ate.

Ishikawa Yoshinobu Y   Ugai Atsushi A  

Acta crystallographica. Section E, Structure reports online 20130710 Pt 8

The 1,3-diketone group of the title compound, C21H20O6, exists in a keto-enol form stabilized by a strong intra-molecular O-H⋯O hydrogen bond. As a result, a planar (mean deviation = 0.0099 Å) six-membered hydrogen-bonded ring is formed. The C-O and C-C bond lengths suggest significant electron delocalization in the ring. The dihedral angle between the six-membered hydrogen-bonded ring and its adjacent benzene ring is 8.78 (5)° and that between the benzene rings is 19.70 (5)°. In the crystal, mo  ...[more]

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