Literature DB >> 20203403

2-Amino-5-(3,4-dimethoxybenzylidene)-1-methylimidazol-4(5H)-one N,N-dimethylformamide monosolvate.

Laura M Tvedte1, Kenneth L Smith, Eric V Patterson, Russell G Baughman.   

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.

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Year:  2010        PMID: 20203403      PMCID: PMC2855591          DOI: 10.1107/S0108270110000181

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  8 in total

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5.  Detection of creatinine by a designed receptor.

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Journal:  Bioorg Med Chem Lett       Date:  2005-12-27       Impact factor: 2.823

7.  3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-3-hydroxy-indolin-2-one monohydrate.

Authors:  Narsimha Reddy Penthala; Thirupathi Reddy Yerram Reddy; Sean Parkin; Peter A Crooks
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-02-21

8.  Structure validation in chemical crystallography.

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  8 in total

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