In:
Acta Crystallographica Section E Structure Reports Online, International Union of Crystallography (IUCr), Vol. 70, No. 12 ( 2014-12-15), p. 599-602
Abstract:
In the title compound, the dehydrodipeptide (Boc–Phe–ΔAla–OiPr, C 20 H 28 N 2 O 5 ), the molecule has a trans conformation of the N -methylamide group. The geometry of the dehydroalanine moiety is to some extent different from those usually found in simple peptides, indicating conjugation between the H 2 C=C group and the peptide bond. The bond angles around dehydroalanine have unusually high values due to the steric hindrance, the same interaction influencing the slight distortion from planarity of the dehydroalanine. The molecule is stabilized by intramolecular interactions between the isopropyl group and the N atoms of the peptide main chain. In the crystal, an N—H...O hydrogen bond links the molecules into ribbons, giving a herringbone head-to-head packing arrangement extending along the [100] direction. In the stacks, the molecules are linked by weak C—H...O hydrogen-bonding associations.
Type of Medium:
Online Resource
ISSN:
1600-5368
DOI:
10.1107/S1600536814025197
DOI:
10.1107/S1600536814025197/zs2321sup1.cif
DOI:
10.1107/S1600536814025197/zs2321sup0.html
DOI:
10.1107/S1600536814025197/zs2321Isup2.hkl
DOI:
10.1107/S1600536814025197/zs2321Isup3.cml
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2014
detail.hit.zdb_id:
2843762-7
detail.hit.zdb_id:
2041947-8
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