Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure

Budzianowski, A.; Olejniczak, A.; Katrusiak, A.

doi:10.1107/S010876810602982X

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 12
The ordered and rotationally disordered NH₂ groups in the hydrogen-bonded 1,2-diaminoethane aggregate: (a) the ordered hydrogen-bonded NH₂ groups (the N—C bonds have been omitted), when the molecular conformation does not change and the two H-atom sites have full occupancy; (b) the partly disordered H atoms as a result of ±120° rotations of NH₂ groups resulting in two sites with 1/2 occupancy and one site with full occupancy; (c) three H-atom sites with 2/3 occupancy as a result of the unrestricted rotations of NH₂ groups about the C—N bonds.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 62| Part 6| November 2006| Pages 1078-1089

doi:10.1107/S010876810602982X

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