dl-Arginine monohydrate at 100 K

In the title compound, C6H14N4O2·H2O, the α‐amino group is neutral. The molecular side chain including the guanidinium group is not fully extended, having a near gauche–gauche conformation [χ3 = 59.0 (1)°; χ4 = 72.8 (1)°]. The network of hydrogen bonds stabilizing the crystal lattice includes those...

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Veröffentlicht in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2000-10, Vol.56 (10), p.1274-1276
Hauptverfasser: Kingsford-Adaboh, Robert, Grosche, Manja, Dittrich, Birger, Luger, Peter
Format: Artikel
Sprache:eng
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Zusammenfassung:In the title compound, C6H14N4O2·H2O, the α‐amino group is neutral. The molecular side chain including the guanidinium group is not fully extended, having a near gauche–gauche conformation [χ3 = 59.0 (1)°; χ4 = 72.8 (1)°]. The network of hydrogen bonds stabilizing the crystal lattice includes those formed between the deprotonated and negatively charged α‐carboxyl­ate groups and the positively charged amino groups of the guanidinium group of neighbouring mol­ecules. N—H⃛O=C and water‐mediated N—H⃛O hydrogen bonds link individual mol­ecules to produce pairs of spiral motifs laterally connected by N—H⃛O and C—H⃛O hydrogen bonds.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270100010325