Estructura del N-[2-(3-etil-indol)-piridoxaldimina]

espanolLa estructura cristalina del n-[2-(3-etil-indol)-piridoxaldimina] (Cig Hi? N3 2 ) ha sido determinada por difraccion de rayos X en monocristal. Ortorombico, Pbca, a = 13.216(2) A, b = 8.695(2)A , c = 28.448(4)A . El angulo de torsion C(l 1)-C(10)-C(9)-N(2) es -171.9(7)°, indicando una disposition antiperiplanar a traves del enlace C(10)-C(9). Distancias de enlace de hidrogeno intra- e intermoleculares son observadas. Una modelizacion molecular usando mecanica y dinamica molecular ha sido hecha para encontrar la conformation mas estable. EnglishThe crystal structure of n-[2-(3-ethyl-indole)-pyridoxaldimine](Ci8 Hn N3 O2) by single crystal X-ray diffraction has been determined. Orthorhombic, Pbca, a = 13.216(2) A, b = 8.695(2)A , c = 28.448(4)A . The C(l 1)-C(10)-C(9)-N(2) torsion angle is -171.9(7)°, indicating an antiperiplanar disposition through the C(10)-C(9) bond. Intra- and intermolecular hydrogen bonds are observed. The most stable conformation has been found using molecular mechanic and dynamic.