Tetrameric aggregate of 1,c-3-diphenyltetran-r-1-ol via an R4(4)8 homodromic ring.
The compound 1,c-3-diphenyltetran-r-1-ol (systematic name: 1,c-3-diphenyl-1,2,3,4-tetrahydro-r-1-naphthol), C(22)H(20)O, which possesses the tetrahydronaphthalene core that is found in a large number of natural products, crystallizes with Z' = 4 and with the four molecules forming a hydrogen-bonded cyclic aggregate. The aliphatic six-membered rings are present with two different conformations in the molecules of the asymmetric unit. A comparison with similar fragments reveals their conformational flexibility. In addition, the structure demonstrates the relative stereochemistries of the chiral centers, which are important since the title compound is used in the stereoselective synthesis of compounds with therapeutic activity.
Vega
Daniel R
DR
Gerencia de Investigación y Aplicaciones, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Av. Gral. Paz 1499, (1659) San Martín, Buenos Aires, Argentina. vega@cnea.gov.ar
Mufato
Jorge D
JD
Aguirre
José M
JM
Drago
Eleonora V
EV
Lantaño
Beatríz
B
D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008958:Models, Molecular; D009284:Naphthols / Q000737:chemistry*; D013237:Stereoisomerism; D013764:Tetrahydronaphthalenes / Q000737:chemistry*; D014961:X-Ray Diffraction
C539852:1,3-diphenyl-1,2,3,4-tetrahydro-1-naphthol; D009284:Naphthols; D013764:Tetrahydronaphthalenes