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Methyl 2-(2,2-dimethyl-3a,6a-di-hydro-furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl-ate.

ABSTRACT: In the title mol-ecule, C18H16O7, the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap. The furan ring is almost coplanar with the pyran ring, with a dihedral angle of 1.04?(10)° between the planes, and it makes a dihedral angle of 67.97?(11)° with the mean plane of the dioxolane ring. The latter makes a dihedral angle of 67.15?(10)° with the pyran ring. The O atom attached to the pyran ring deviates by -0.009?(1)?Å. The crystal packing features C-H?O hydrogen bonds, forming a three-dimensional structure. The meth-oxy-carbonyl atoms are disordered over two positions, with a refined occupancy ratio of 0.508?(18):0.492?(18).

SUBMITTER: Fatima Z

PROVIDER: S-EPMC3793797 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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Methyl 2-(2,2-dimethyl-3a,6a-di-hydro-furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl-ate.

Fatima Zeenat Z Srinivasan Thothadri T Rao Jonnalagadda Naga Siva JN Raghunathan Raghavachary R Velmurugan Devadasan D

Acta crystallographica. Section E, Structure reports online 20130724 Pt 8

In the title mol-ecule, C18H16O7, the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap. The furan ring is almost coplanar with the pyran ring, with a dihedral angle of 1.04 (10)° between the planes, and it makes a dihedral angle of 67.97 (11)° with the mean plane of the dioxolane ring. The latter makes a dihedral angle of 67.15 (10)° with the pyran ring. The O atom attached to the pyran ring deviates by -0.009 (1) Å. The crystal packing features C-H ...[more]

PMID: 24109384

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