title: Structure of MeCO-Gly psi [NH-CO]NHMe.
abstract: N,N'-Methylenediacetamide, C5H10N2O2, Mr = 130.15, orthorhombic, Pna2(1), a = 17.218 (1), b = 4.489 (1), c = 18.124 (1) A, V = 1400.8 A3, Z = 8, D chi = 1.23 g cm-3, lambda(Cu K alpha) = 1.5418 A, mu Rmax much less than 1, mu = 7.19 cm-1, F(000) = 560, T = 293 K, R = 0.044 for 1318 observed reflections. This retro-peptide molecule assumes two nearly identical conformational states (A phi = 93.2, phi' = 77.0; B phi = 90.6, phi' = 79.6 degrees) with planar trans amide functions. The bond lengths and bond angles are very close to the standard dimensions of the peptide group.
authors.affiliation: Laboratoire de minéralogie et cristallographie, UA CNRS 809, Université de Nancy I, France.
authors.forename: L
authors.initials: L
authors.lastname: el-Masdouri
authors.forename: A
authors.initials: A
authors.lastname: Aubry
authors.forename: E
authors.initials: E
authors.lastname: Gomez
authors.forename: B
authors.initials: B
authors.lastname: Vitoux
authors.forename: M
authors.initials: M
authors.lastname: Marraud
mesh_terms: D000081:Acetamides / Q000737:chemistry*; D000595:Amino Acid Sequence; D003460:Crystallization; D005998:Glycine / Q000031:analogs & derivatives* / Q000737:chemistry; D008956:Models, Chemical; D008968:Molecular Conformation; D008969:Molecular Sequence Data; D010455:Peptides / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: D000081:Acetamides; D010455:Peptides; C075144:N,N'-methylenediacetamide; D005998:Glycine