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sp-(R)-9-(o-tert-Butylphenyl)-9-hydroxy-N-(S)--methylbenzylfluorene-2-carboxamide-Acetone: a Novel 1:1 Cavitate

sp-(R)-9-(o-tert-Butylphenyl)-9-hydroxy-N-(S)--methylbenzylfluorene-2-carboxamide-Acetone: a... Fractional crystallization of the two epimers sp-(R),(S)-9-(o-tert-butylphenyl)-9-hydroxy-N-(S)-1-phenylethylfluorene-2-carboxamide from acetone provided the title epimer as a 1:1 cavitate (C32H31NO2.C3H6O) with the solvent acetone. Hydrogen bonding between NH group of the host molecule and the O atom of a molecule of acetone takes place within a cavity of the host molecule, forming the novel cavitate. In addition, molecules of the host are connected to one another through hydrogen bonds between their respective OH groups as donors and amide O atoms as acceptors, forming molecular chains. To accommodate the molecule of acetone and its hydrogen bonding within the cavity, the o-tert-butylphenyl group of the title host, in contrast to that in its parent sp-9-(o-tert-butylphenyl)-9-fluorenol, is substantially rotated away from perpendicularity with the fluorene plane. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section C: Crystal Structure Communications International Union of Crystallography

sp-(R)-9-(o-tert-Butylphenyl)-9-hydroxy-N-(S)--methylbenzylfluorene-2-carboxamide-Acetone: a Novel 1:1 Cavitate

sp-(R)-9-(o-tert-Butylphenyl)-9-hydroxy-N-(S)--methylbenzylfluorene-2-carboxamide-Acetone: a Novel 1:1 Cavitate


Abstract

Fractional crystallization of the two epimers sp-(R),(S)-9-(o-tert-butylphenyl)-9-hydroxy-N-(S)-1-phenylethylfluorene-2-carboxamide from acetone provided the title epimer as a 1:1 cavitate (C32H31NO2.C3H6O) with the solvent acetone. Hydrogen bonding between NH group of the host molecule and the O atom of a molecule of acetone takes place within a cavity of the host molecule, forming the novel cavitate. In addition, molecules of the host are connected to one another through hydrogen bonds between their respective OH groups as donors and amide O atoms as acceptors, forming molecular chains. To accommodate the molecule of acetone and its hydrogen bonding within the cavity, the o-tert-butylphenyl group of the title host, in contrast to that in its parent sp-9-(o-tert-butylphenyl)-9-fluorenol, is substantially rotated away from perpendicularity with the fluorene plane.

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1998 International Union of Crystallography
ISSN
0108-2701
eISSN
1600-5759
DOI
10.1107/S0108270198001280
Publisher site
See Article on Publisher Site

Abstract

Fractional crystallization of the two epimers sp-(R),(S)-9-(o-tert-butylphenyl)-9-hydroxy-N-(S)-1-phenylethylfluorene-2-carboxamide from acetone provided the title epimer as a 1:1 cavitate (C32H31NO2.C3H6O) with the solvent acetone. Hydrogen bonding between NH group of the host molecule and the O atom of a molecule of acetone takes place within a cavity of the host molecule, forming the novel cavitate. In addition, molecules of the host are connected to one another through hydrogen bonds between their respective OH groups as donors and amide O atoms as acceptors, forming molecular chains. To accommodate the molecule of acetone and its hydrogen bonding within the cavity, the o-tert-butylphenyl group of the title host, in contrast to that in its parent sp-9-(o-tert-butylphenyl)-9-fluorenol, is substantially rotated away from perpendicularity with the fluorene plane.

Journal

Acta Crystallographica Section C: Crystal Structure CommunicationsInternational Union of Crystallography

Published: Jul 15, 1998

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