In the title compound, C18H16O4S, the pyran ring adopts a sofa conformation. The bond angles around the two planar C atoms in the ring deviate from their ideal values.

Subramanyam Srinivasan

Kalpathy Chidambareswaran Santhosh

Chemical bonds

Conformations

Molecular Structure

SULFUR COMPOUNDS

Pyrans

SOFA CONFORMATIONS

Ketones

IIT Madras is a public technical and research university located in Chennai, Tamil Nadu. Founded in 1959, it is recognised as an Institute of National Importance.

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IIT Madras

3-Phenylsulfonyl-3-(2-propenyl)chroman-4-one

Acta Crystallographica Section C: Crystal Structure Communications

The crystal structures of (i) CH3(C9H6O2)SO2C 6H5 and (ii) CH3(C9H8O2)SO2-C 6H5 have been determined by X-ray diffraction. (i) crystallizes in the monoclinic space group P21/c with unit cell parameters a = 8.814(1)Å, b = 10.310(1)Å, c = 15.841(4)Å, β = 98.17(1)°, and Z = 4, and (ii) crystallizes in the orthorhombic space group P212121 with unit cell parameters a = 6.206(1)Å, b = 11.752(5)Å, c = 19.865(3)Å, and Z = 4. The pyran ring in both of them is in the distorted half-chair conformation with differing degrees of distortion from the ideal.

Journal of Chemical Crystallography

Crystal structures of 6-methyl-3-phenylsulfonylchroman-4-one and trans-6-methyl-3-phenylsulfonylchroman-4-ol

Journal	Acta Crystallographica Section C: Crystal Structure Communications
Publisher	Blackwell Munksgaard
ISSN	01082701
Open Access	Yes