Structure of 1-Methyl-5-(D-ga/acto-1 ,2,3,4,5-pentaacetoxypentyl)- 3-phenylpyrazole

Description

C25H30N2010, Mr = 518·5, orthorhombic, P2 1212¡, a= 12·303 (2), b =:= 25·071 (4), e=pentyl chain range from 45 to 80°. The crystal cohesion is mainly dueto van der Waa1s interactions 8·823 (5) A, V= 2721·4 (16) Á3 Z = 4, Dx =but there are two possible hydrogen bonds along 1·265 Mgm-, t\(Mo Ka) =0·7107 Á, .=[100] and [001]. Molecular-packing analysis in ihe 0·09 mm- 1, F(OOO) = 1076, room temperature, final wR = 0·040 for 1424 observed reflexions. Bond dis­ tances and angles are all within the expected ranges. The pyrazole and phenyl planes are twisted by 18°. Torsion angles between the acetoxy groups and the 0108-27011891121894-04$03.00 atom-atom approach yields an equilibrium con­ figuration close to the experimental structure.

Additional details