The influence of pressure and temperature on the crystal structure of acetone

David R. Allan; Stewart J. Clark; Richard M. Ibberson; Simon Parsons; Colin R. Pulham; Lindsay Sawyer

doi:10.1039/a900558g

The influence of pressure and temperature on the crystal structure of acetone

David R. Allan, Stewart J. Clark, Richard M. Ibberson, Simon Parsons, Colin R. Pulham, Lindsay Sawyer

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84 Scopus citations

Abstract

Dipolar carbonyl-carbonyl contacts generally occur in one of three motifs, and all are exhibited in the X-ray crystal structures of two phases of acetone derived at 15 kBar and at 150 K; a neutron powder-diffraction study at 5 K and an X-ray diffraction study at 110 K reveal strengthened CH···O as well as CO···CO electrostatic contacts which appear to explain the unusual thermodynamic properties of acetone, the nature of which have remained a mystery since 1929.

Original language	English
Pages (from-to)	751-752
Number of pages	2
Journal	Chemical Communications
Issue number	8
DOIs	https://doi.org/10.1039/a900558g
State	Published - Apr 21 1999
Externally published	Yes

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title = "The influence of pressure and temperature on the crystal structure of acetone",

abstract = "Dipolar carbonyl-carbonyl contacts generally occur in one of three motifs, and all are exhibited in the X-ray crystal structures of two phases of acetone derived at 15 kBar and at 150 K; a neutron powder-diffraction study at 5 K and an X-ray diffraction study at 110 K reveal strengthened CH···O as well as CO···CO electrostatic contacts which appear to explain the unusual thermodynamic properties of acetone, the nature of which have remained a mystery since 1929.",

author = "Allan, {David R.} and Clark, {Stewart J.} and Ibberson, {Richard M.} and Simon Parsons and Pulham, {Colin R.} and Lindsay Sawyer",

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AU - Allan, David R.

AU - Clark, Stewart J.

AU - Ibberson, Richard M.

AU - Parsons, Simon

AU - Pulham, Colin R.

AU - Sawyer, Lindsay

PY - 1999/4/21

Y1 - 1999/4/21

N2 - Dipolar carbonyl-carbonyl contacts generally occur in one of three motifs, and all are exhibited in the X-ray crystal structures of two phases of acetone derived at 15 kBar and at 150 K; a neutron powder-diffraction study at 5 K and an X-ray diffraction study at 110 K reveal strengthened CH···O as well as CO···CO electrostatic contacts which appear to explain the unusual thermodynamic properties of acetone, the nature of which have remained a mystery since 1929.

AB - Dipolar carbonyl-carbonyl contacts generally occur in one of three motifs, and all are exhibited in the X-ray crystal structures of two phases of acetone derived at 15 kBar and at 150 K; a neutron powder-diffraction study at 5 K and an X-ray diffraction study at 110 K reveal strengthened CH···O as well as CO···CO electrostatic contacts which appear to explain the unusual thermodynamic properties of acetone, the nature of which have remained a mystery since 1929.

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U2 - 10.1039/a900558g

DO - 10.1039/a900558g

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SN - 1359-7345

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JO - Chemical Communications

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ER -

The influence of pressure and temperature on the crystal structure of acetone

Abstract

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