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4-Methyl-2-oxo-2H-chromen-7-yl 4-fluoro-benzene-sulfonate.

ABSTRACT: In the asymmetric unit of the title compound, C(16)H(11)FO(5)S, the 2H-chromene ring is essentially planar, with a maximum deviation of 0.040?(2)?Å. The dihedral angle between the 2H-chromene ring and the 4-fluoro-phenyl ring is 2.17?(8)°. One of the sulfonamide O atoms is approximately coplanar with the benzene ring [C-C-S-O torsion angle = 166.00?(14)°], whereas the other O atom lies well below the plane [C-C-S-O = -61.35?(17)°]. In the crystal, mol-ecules are connected by weak C-H?O hydrogen bonds, forming two-dimensional networks parallel to the ac plane.

SUBMITTER: Sinha S

PROVIDER: S-EPMC3295434 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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4-Methyl-2-oxo-2H-chromen-7-yl 4-fluoro-benzene-sulfonate.

Sinha Suman S Osman Hasnah H Wahab Habibah A HA Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20120210 Pt 3

In the asymmetric unit of the title compound, C(16)H(11)FO(5)S, the 2H-chromene ring is essentially planar, with a maximum deviation of 0.040 (2) Å. The dihedral angle between the 2H-chromene ring and the 4-fluoro-phenyl ring is 2.17 (8)°. One of the sulfonamide O atoms is approximately coplanar with the benzene ring [C-C-S-O torsion angle = 166.00 (14)°], whereas the other O atom lies well below the plane [C-C-S-O = -61.35 (17)°]. In the crystal, mol-ecules are connected by weak C-H⋯O hydrogen ...[more]

PMID: 22412545

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