Open Access2‐Amino‐5‐(3,4‐dimethoxybenzylidene)‐1‐methylimidazol‐4(5 H )‐one N , N ‐dimethylformamide monosolvate
Author(s) -
Tvedte Laura M.,
Smith Kenneth L.,
Patterson Eric V.,
Baughman Russell G.
Publication year - 2010
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
eISSN - 1600-5759
pISSN - 0108-2701
DOI - 10.1107/s0108270110000181
Subject(s) - hydrogen bond , stacking , chemistry , dimethylformamide , crystallography , ring (chemistry) , crystal structure , bond length , crystal (programming language) , planar , bioinformatics , molecule , organic chemistry , computer science , computer graphics (images) , solvent , programming language , biology
The crystal structure of the title compound, C 13 H 15 N 3 O 3 ·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 π systems of 2‐amino‐5‐(3,4‐dimethoxybenzylidene)‐1‐methylimidazol‐4(5 H )‐one and an inversion‐related molecule overlap slightly, indicating a small amount of π–π 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.