Acta Crystallographica Section C

Volume 65, Part 11 (November 2009)

organic compounds

gd3304 scheme

Acta Cryst. (2009). C65, o587-o592 [ doi:10.1107/S0108270109036749 ]

Crystal packing in the structures of diethanolamine derivatives

A. V. Churakov, E. K. Lermontova, K. V. Zaitsev, M. Huang, S. S. Karlov, G. S. Zaitseva and J. A. K. Howard

Abstract: Four distinct hydrogen-bonding topologies were observed in the structures of six diethanolamine ligands. These compounds are (1R*,2R*)-2-[(2-hydroxyethyl)(methyl)amino]-1,2-diphenylethanol, C₁₇H₂₁NO₂, (I), 1-[(2S)-2-(hydroxydiphenylmethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol, C₂₁H₂₇NO₂, (II), 2-[(2-hydroxyethyl)(methyl)amino]-1,1-diphenylethanol, C₁₇H₂₁NO₂, (III), 1-{(2-hydroxy-2-methylpropyl)[(1S)-1-phenylethyl]amino}-2-methylpropan-2-ol, C₁₆H₂₇NO₂, (IV), 1-{[(2R)-2-hydroxy-2-phenylethyl][(1S)-1-phenylethyl]amino}-2-methylpropan-2-ol, C₂₀H₂₇NO₂, (V), and (1R*,2S*)-2-[(2-hydroxyethyl)(methyl)amino]-1,2-diphenylethanol, C₁₇H₂₁NO₂, (VI). In each compound, all `active' hydroxy H atoms are engaged in hydrogen bonding, but the N atoms are not involved in intermolecular hydrogen bonding. In the structures of (I), (II) and (IV)-(VI), molecules are linked into chains by intermolecular O-HO interactions. These chains are organized in such a way as to hide the hydrophilic groups inside, and so the outer surfaces of the chains are hydrophobic. The structure of (VI) contains two distinct non-equivalent systems of intermolecular O-HO hydrogen bonds formed by disordered hydroxy H atoms.

Formula: C₂₁H₂₇NO₂, C₁₇H₂₁NO₂, C₁₆H₂₇NO₂, C₁₆H₂₇NO₂, C₂₀H₂₇NO₂ and C₁₇H₂₁NO₂


	Structure factor file (CIF format) (82.6 kbytes) [ doi:10.1107/S0108270109036749/gd3304Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (133.2 kbytes) [ doi:10.1107/S0108270109036749/gd3304IIsup3.hkl ] Contains datablock II

	Structure factor file (CIF format) (136.1 kbytes) [ doi:10.1107/S0108270109036749/gd3304Vsup6.hkl ] Contains datablock V

	Structure factor file (CIF format) (167.6 kbytes) [ doi:10.1107/S0108270109036749/gd3304IIIsup4.hkl ] Contains datablock III

	Structure factor file (CIF format) (119.3 kbytes) [ doi:10.1107/S0108270109036749/gd3304IVsup5.hkl ] Contains datablock IV

	Structure factor file (CIF format) (143.9 kbytes) [ doi:10.1107/S0108270109036749/gd3304VI_100sup7.hkl ] Contains datablock VI_100

	Structure factor file (CIF format) (148.5 kbytes) [ doi:10.1107/S0108270109036749/gd3304VI_300sup8.hkl ] Contains datablock VI_300

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