RESUMO
In the title compound, C20H27N5O3, the central piperazine ring adopts a chair conformation, with the N-bound carboxyl-ate and methyl-ene substituents occupying bis-ectional and equatorial orientations, respectively. A twist is evident between the aromatic rings [dihedral angle = 25.61â (9)°] but an intra-molecular O-Hâ¯N hydrogen bond persists between these. Supra-molecular tapes along [1-10] are formed in the crystal packing through N(amino)-Hâ¯O(hydrox-yl) and N(amino)-Hâ¯N(pyrimidin-yl) hydrogen bonds, and these are linked into layers in the ab plane by π-π inter-actions [inter-centroid distance between pyrimidinyl rings = 3.5919â (9)â Å].
RESUMO
In the title compound, C17H15N3O2, two independent mol-ecules (A and B) comprise the asymmetric unit. The major conformational difference arises in the relative orientation of the pyrazole ring amine and dioxole substituents which are anti in A and syn in B. The five-membered dioxole ring in each mol-ecule has an envelope conformation with the methyl-ene C atom as the flap. The mean plane through the benzodioxole and benzene groups make dihedral angles of 31.67â (8) and 68.22â (9)°, respectively, with the pyrazole ring in A; the equivalent values for B are 47.18â (7) and 49.08â (9)°. In the crystal, supra-molecular zigzag chains along the b-axis direction arise as a result of N-Hâ¯N hydrogen bonding. These are consolidated into supra-molecular double chains via C-Hâ¯O and C-Hâ¯π inter-actions.
RESUMO
The title compound, C17H15N3O2, is a monoclinic polymorph (P21/c with Z' = 1) of the previously reported triclinic (P-1 with Z' = 2) form [Gajera et al. (2013 â¸). Acta Cryst. E69, o736-o737]. The mol-ecule in the monoclinic polymorph features a central pyrazolyl ring with an N-bound p-tolyl group and a C-bound 1,3-benzodioxolyl fused-ring system on either side of the C atom bearing the amino group. The dihedral angles between the central ring and the N- and C-bound rings are 50.06â (5) and 27.27â (5)°, respectively. The angle between the pendent rings is 77.31â (4)°, indicating the mol-ecule has a twisted conformation. The five-membered dioxolyl ring has an envelope conformation with the methyl-ene C atom being the flap. The relative disposition of the amino and dioxolyl substituents is syn. One of the independent mol-ecules in the triclinic form has a similar syn disposition but the other has an anti arrangement of these substituents. In the crystal structure of the monoclinic form, mol-ecules assemble into supra-molecular helical chains via amino-pyrazolyl N-Hâ¯N hydrogen bonds. These are linked into layers via C-Hâ¯π inter-actions, and layers stack along the a axis with no specific inter-actions between them.