Abstract

The crystal structures of zolmitriptan with pyridine (I) and propiophenone (II) solvates have been determined by single crystal X-ray diffraction studies. Compound (I) crystallizes in the orthorhombic space group P212121 with a = 8.5610(5) A, b = 12.2709(7) A, c = 19.6201(12) A, V = 2061.1(2) A3, and Z = 4, while compound (II) crystallizes in the monoclinic space group P21 with a = 15.085(1) A, b = 19.656(12) A, c = 21.0860(13) A, β = 92.068(1)°, V = 6248(4) A3 and Z = 4. The asymmetric unit of (I), C16H21N3O2·C5H5N, contains one zolmitriptan molecule and one pyridine solvate, while the asymmetric unit of (II), 3(C16H21N3O2)·2(C9H10O) comprises six zolmitriptan molecules and four propiophenone solvates. In both structures, the N–H···N hydrogen bonds, form an infinite helical chain and generate a C(11)-type motif in (I) and a D 2 2 (13)-type motif in (II). Both the complexes have layer structures, the layers being constructed from rings (cavity) of four zolmitriptan molecules, hydrogen bonded through N–H···N and N–H···O bonds, where the pyridine (I) and propiophenone (II) solvates are included in an R 4 4 (33) ring. In the present study, we have determined the crystal structures of two inclusion complexes of zolmitriptan-pyridine (1:1) and zolmitriptan- propiophenone (3:2).

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