crystal structure of rac-(3a'r,9a'r)-3a'-(indol-3-yl)-1′,2′,3′,3a',4′,9a'-hexahydrospiro[cyclopentane-1,9′-pentaleno[1,2-b]indole] p-xylene hemisolvate
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ID: 190329
2015
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Abstract
The title compound, C26H26N2·0.5C8H10, is the first reported characterized 2:2 product from acid-catalyzed condensation of indole with cyclopentanone and no other 2:2 products were observed. Recrystallization from p-xylene gave the title hemisolvate with the p-xylene molecule located about an inversion center. The terminal pentalene 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 cyclopentane ring. In the crystal, molecules are connected by N—H...π interactions, forming chains along [100], and N—H...π and C—H...π interactions, forming chains along [001], which results in the formation of slabs parallel to (010).
| Reference Key |
noland2015actacrystal
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|---|---|
| Authors | ;Wayland E. Noland;Matthew A. Worth;Andrew K. Schneerer;Courtney L. Paal;Kenneth J. Tritch |
| Journal | Disability and rehabilitation |
| Year | 2015 |
| DOI |
10.1107/S2056989015007422
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| URL | |
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