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Allyl 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 compound, C20H18O7, the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap, and its mean plane makes a dihedral angle of 73.25?(2)° with the pyran ring mean plane. The furan ring makes dihedral angles of 67.43?(12) and 6.20?(11)° with the mean plane of the dioxolane and pyran rings, respectively. The O atom attached to the pyran ring deviates by 0.0219?(2)?Å from its mean plane. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, forming chains along [010] and enclosing R 2 (2)(9) loops. They stack along the a axis with ?-? inter-actions involving the 4H-chromene units [centroid-centroid distances of 3.6389?(13) and 3.6555?(13)?Å]. The terminal CH2=CH- atoms of the allyl acetate group are disordered over two sets of sites with a refined occupancy ratio of 0.717?(6):0.283?(6).

SUBMITTER: Fatima Z

PROVIDER: S-EPMC3793755 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Allyl 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 20130713 Pt 8

In the title compound, C20H18O7, the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap, and its mean plane makes a dihedral angle of 73.25 (2)° with the pyran ring mean plane. The furan ring makes dihedral angles of 67.43 (12) and 6.20 (11)° with the mean plane of the dioxolane and pyran rings, respectively. The O atom attached to the pyran ring deviates by 0.0219 (2) Å from its mean plane. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bon ...[more]

PMID: 24109342

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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.

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Project description:In the title compound, C10H5ClO3, a chlorinated 3-formyl-chromone derivative, all atoms are essentially coplanar (r.m.s. deviation = 0.0592?Å for all non-H atoms), with the largest deviation from the least-squares plane [0.1792?(19)?Å] being for the chromone-ring carbonyl O atom. In the crystal, mol-ecules are linked through C-H?O hydrogen bonds to form tetrads, which are assembled by stacking inter-actions [centroid-centroid distance between the pyran rings = 3.823?(3)?Å] and van der Waals contacts between the Cl atoms [Cl?Cl = 3.4483?(16)?Å and C-Cl?Cl = 171.73?(7)°] into a three-dimensional architecture.

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