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2-Amino-5-(3,4-dimethoxybenzylidene)-1-methylimidazol-4(5H)-one N,N-dimethylformamide monosolvate.
Tvedte, Laura M; Smith, Kenneth L; Patterson, Eric V; Baughman, Russell G.
Afiliação
  • Tvedte LM; Department of Chemistry, Truman State University, Kirksville, MO 63501-4221, USA.
Acta Crystallogr C ; 66(Pt 3): o101-3, 2010 Mar.
Article em En | MEDLINE | ID: mdl-20203403
ABSTRACT
The crystal structure of the title compound, C(13)H(15)N(3)O(3) x C(3)H(7)NO, was determined as part of a larger project focusing on creatinine derivatives as potential pharmaceuticals. The molecule is essentially planar, in part because of intramolecular hydrogen bonding. Inversion-related pairs of molecules result from intermolecular hydrogen bonding. The pi systems of 2-amino-5-(3,4-dimethoxybenzylidene)-1-methylimidazol-4(5H)-one and an inversion-related molecule overlap slightly, indicating a small amount of pi-pi stacking. Bond lengths, angles and torsion angles are consistent with similar structures, except in the imidazolone ring near the doubly bonded C atom, where significant differences occur.
Assuntos

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Formamidas / Imidazóis Idioma: En Ano de publicação: 2010 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Formamidas / Imidazóis Idioma: En Ano de publicação: 2010 Tipo de documento: Article