Title: Structures Cristallines et Mol6eulaires de la (p-Bromoph6nyl)-2
Abstract: The crystal structure analysis of 2-p-bromophenylindane-l,3-dione (bromophenindione) enters in the general study of the antivitamin K action mechanism. The compound crystallizes in two forms a triclinic one, space group P'l with a= 18.416 (5), b = 14.655 (5), c= 5291 (3) A, oc = 86.92 (7) 1/= 91.76 (7), 7= 103.87 (7) °, and an orthorhombic one, space group Pna21 with a=26.788 (6), b= 5355 (3) c= 17.159 A. The structures were solved by the heavy atom-method from reflexions collected with a three-circle diffractometer. The structural parameters were refined by full-matrix least-squares methods to R values of 0066 (triclinic) and 0.099 (orthorhombic). The bromophenindione molecule conformation is characterized by a general 'roof' shape in the triclinic and orthorhombic crystals. The triclinic crystals have benzene solvent inclusions and the bromophenylindanedione molecules form a structure with gaps in which the benzene molecules are stacked. The orthorhombic crystals present a disorder phenomenon which has slightly impeded the structure determination. No strong bond has been characterized in either structure.
Publication Year: 1974
Publication Date: 1974-01-01
Language: en
Type: article
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