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

Autor:	K. N. Goswami, N. Padha, V. S. Yadava
Rok vydání:	1994
Předmět:	Diffraction Stereochemistry Chemistry Hydrogen bond Crystal structure Condensed Matter Physics Ring (chemistry) Benzopyran Inorganic Chemistry Crystal chemistry.chemical_compound Side chain Molecule General Materials Science
Zdroj:	Zeitschrift für Kristallographie - Crystalline Materials. 209:878-881
ISSN:	2196-7105 2194-4946
DOI:	10.1524/zkri.1994.209.11.878
Popis:	The crystal and molecular structure of Sesibiricin (C20H24O4) has been determined from three dimensional X-ray diffraction data. The gross structure (P21 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) Å3, 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.
Databáze:	OpenAIRE
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