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dl-Threoninium di­hydrogen phosphate

✍ Scribed by Ravikumar, B. ;Sridhar, B. ;Rajaram, R. K.


Publisher
International Union of Crystallography
Year
2002
Tongue
English
Weight
273 KB
Volume
58
Category
Article
ISSN
1600-5368

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ÁH 2 PO 4 À , the racemate has crystallizes in a non-centrosymmetric space group, Pc. However, both the phenylalaninium and dihydrogen phosphate residues are related by a pseudo-inversion center at about (0.5, 0.25, 0.25). Each phosphate anion forms a strong OÐHÁ Á ÁO hydrogen bond with a phenylalan

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In the title compound, C 5 H 12 O 2 N + ÁH 2 PO 4 À , the valinium and phosphate ions are held together by a strong OÐHÁ Á ÁO hydrogen bond. The valinium residue has gauche II conformation. The phosphate anion links the amino acids, extending as a chain running along the b axis.

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.033 wR factor = 0.085 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.001 A Ê R factor = 0.034 wR factor = 0.093 Data-to-parameter ratio = 12.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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