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Patterns of hydrogen bonding in water and ice

✍ Scribed by Phil Attard


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
633 KB
Volume
233
Category
Article
ISSN
0378-4371

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Hydrogen bonds between water molecules:
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The free energy components of two low pressure crystalline ices and an amorphous form of water are calculated over a wide range of temperatures. The Gibbs free energy at a given temperature is minimized with respect to volume of a system. This enables us to evaluate a thermal expansivity at fixed t

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.059 wR factor = 0.188 Data-to-parameter ratio = 15.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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In the title compound [systematic name: 2,4-diamino-5-(3,4,5trimethoxybenzyl)pyrimidinium tetrafluoroborate], C 14 H 19 -N 4 O 3 + ÁBF 4 Γ€ , the trimethoprim (TMP) molecule is protonated at one of the pyrimidine N atoms. The protonated N atom and 2-amine group of the TMP cation interact with the tet