Structure of N-acetyl-L-leucyl-L-prolinamide monohydrate
C13H23N3O3.H2O, Mr = 287.36, orthorhombic, P2(1)2(1)2(1), a = 6.3863 (8), b = 14.346 (2), c = 17.247 (2) A, V = 1580.1 (6) A3, Z = 4, Dx = 1.208 g cm-3, lambda(Cu K alpha) = 1.54178 A, mu = 7.04 cm-1, F(000) = 624, room temperature, final R = 0.037 for 1693 reflections with I greater than or equal t...
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Published in | Acta crystallographica. Section C, Crystal structure communications Vol. 48 ( Pt 4); p. 709 |
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Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
United States
15.04.1992
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Subjects | |
Online Access | Get more information |
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Summary: | C13H23N3O3.H2O, Mr = 287.36, orthorhombic, P2(1)2(1)2(1), a = 6.3863 (8), b = 14.346 (2), c = 17.247 (2) A, V = 1580.1 (6) A3, Z = 4, Dx = 1.208 g cm-3, lambda(Cu K alpha) = 1.54178 A, mu = 7.04 cm-1, F(000) = 624, room temperature, final R = 0.037 for 1693 reflections with I greater than or equal to 2.5 sigma (I) and 257 variables. The peptide linkage is in a trans conformation. The pyrrolidine ring adopts a puckered C gamma-endo conformation and the leucine side chain is in a twisted [g-(tg-)] conformation. The crystal packing is stabilized by a three-dimensional network of hydrogen bonds which involve all the donor groups. The water molecule plays an important part in the crystal packing, being engaged in three hydrogen bonds with different N-acetylamide molecules. |
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ISSN: | 0108-2701 |
DOI: | 10.1107/S0108270191011162 |