Topography of the 1:1 a-cyclodextrin–nitromethane inclusion complex (1999).

Content Provider	CiteSeerX
Author	Nakagawa, Toshio Immel, Stefan Lichtenthaler, Frieder W. Lindner, Hans J.
Abstract	Dissolution of a-cyclodextrin (a-CD) in 9:1 water–nitromethane smoothly generates the title compound, which crystallizes as the pentahydrate in the orthorhombic space group P212121 with a9.452(4), b14.299(3), c 37.380(10) A, , and Z4. Its crystal structure analysis revealed the a-CD macrocycle in an unstrained conformation stabilized through a ring of O-2···O-3 % hydrogen bonds between five of the six adjacent glucose residues. The nitromethane is located in the a-CD cavity in an orientation parallel to the plane of the macrocycle, and assumes two sites of equal population with the nitro group in excessive thermal motion; the guest is held by van der Waals contacts and C-H···O-type hydrogen bonds to the pyranose H-3 and H-5 protons. The packing of the macrocycles in the crystal lattice is of cage herringbone-type with an extensive intra- and intermolecular hydrogen bonding network. The ready formation of a nitromethane inclusion complex in aqueous nitromethane, and the subtleties of its molecular structure amply demonstrate the ease with which water is expelled from the a-CD cavity by a more
File Format	PDF
Publisher Date	1999-01-01
Access Restriction	Open
Subject Keyword	A-cyclodextrin Nitromethane Inclusion Complex A-cd Cavity Water Nitromethane Nitro Group C-h O-type Hydrogen Bond Van Der Waals Contact Cage Herringbone-type Molecular Structure Amply A-cd Macrocycle Orthorhombic Space Group P212121 Equal Population Pyranose H-3 Crystal Structure Analysis Intermolecular Hydrogen Bonding Network Unstrained Conformation Orientation Parallel Ready Formation Adjacent Glucose Residue Title Compound Nitromethane Inclusion Complex Excessive Thermal Motion Aqueous Nitromethane O-2 O-3 Hydrogen Bond Crystal Lattice Extensive Intra H-5 Proton
Content Type	Text