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The crystal and molecular structure of Sesibiricin (C 20 H 24 O 4 ) has been determined from three dimensional X-ray diffraction data. The gross structure ( P 2 1  with  a  = 13.142(2) Å;  b  = 7.552(3) Å;  c  = 18.364(3) Å;  β  = 91.53(4)°,  Z  = 4,  V  = 1821.9(8) Å 3 ,  d  0  = 1.198 Mgm −3 ) was determined from 4477 observed reflections ( R -index = 0.063). The basic 2 H-[1]-benzopyran-2-one is planar. The side chains at C(5) and C(8) are nearly planar and are inclined to the flat ring system of the molecule. The two asymmetric molecules indicate different conformations in the two side chains. These are interconnected by a weak hydrogen bond ( d (C1A … O2B) = 3.48(1) Å). The closest contact between the symmetry related molecules is  d (C12B … O2A) = 3.48 Å.

Crystal and molecular structure of 5-(3-methylbut-2-enyloxy)-7-methoxy-8-(3-methylbut-2-enyl)-2 H-[1]-benzopyran-2-one (Sesibiricin)