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Crystal structure of rac-(3a'R,9a'R)-3a'-(indol-3-yl)-1',2',3',3a',4',9a'-hexa-hydro-spiro-[cyclo-pentane-1,9'-penta-leno[1,2-b]indole] p-xylene hemisolvate.

ABSTRACT: The title compound, C26H26N2·0.5C8H10, is the first reported characterized 2:2 product from acid-catalyzed condensation of indole with cyclo-penta-none and no other 2:2 products were observed. Recrystallization from p-xylene gave the title hemisolvate with the p-xylene mol-ecule located about an inversion center. The terminal penta-lene ring is envelope-flap disordered at the C atom farthest from the skeletal indole unit, with a refined occupancy ratio of 0.819?(4):0.181?(4). The major component has this C atom bent away from the spiro-fused cyclo-pentane ring. In the crystal, mol-ecules are connected by N-H?? inter-actions, forming chains along [100], and N-H?? and C-H?? inter-actions, forming chains along [001], which results in the formation of slabs parallel to (010).

SUBMITTER: Noland WE 

PROVIDER: S-EPMC4420065 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

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Crystal structure of rac-(3a'R,9a'R)-3a'-(indol-3-yl)-1',2',3',3a',4',9a'-hexa-hydro-spiro-[cyclo-pentane-1,9'-penta-leno[1,2-b]indole] p-xylene hemisolvate.

Noland Wayland E WE   Worth Matthew A MA   Schneerer Andrew K AK   Paal Courtney L CL   Tritch Kenneth J KJ  

Acta crystallographica. Section E, Crystallographic communications 20150418 Pt 5

The title compound, C26H26N2·0.5C8H10, is the first reported characterized 2:2 product from acid-catalyzed condensation of indole with cyclo-penta-none and no other 2:2 products were observed. Recrystallization from p-xylene gave the title hemisolvate with the p-xylene mol-ecule located about an inversion center. The terminal penta-lene ring is envelope-flap disordered at the C atom farthest from the skeletal indole unit, with a refined occupancy ratio of 0.819 (4):0.181 (4). The major component  ...[more]

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