Crystal structures of N2,N3,N5,N6-tetra­kis­(pyridin-2-ylmeth­yl)pyrazine-2,3,5,6-tetra­carboxamide and N2,N3,N5,N6-tetra­kis­(pyridin-4-ylmeth­yl)pyrazine-2,3,5,6-tetra­carboxamide

Acta Crystallographica Section E: Crystallographic Communications

Cati, D.S.¹  Stoeckli-Evans, H.² 

[1] Debiopharm International S.A., Chemin Messidor 5-7, CP 5911, CH-1002 Lausanne, Switzerland;Insitute of Physics, University of Neuchâtel, Switzerland;tel, rue Emile-Argand 11, CH-2000 Neuchâ

关键词: CRYSTAL STRUCTURE;    PYRAZINE;    PYRIDINE;    TETRACARBOXAMIDE;    HYDROGEN BONDING;   

DOI  :  10.1107/S205698901700127X

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compounds, C32H28N10O4· unknown solvent, (I), and C32H28N10O4, (II), are pyrazine-2,3,5,6-tetra­carboxamide derivatives. In (I), the substituents are (pyridin-2-ylmeth­yl)carboxamide, while in (II), the substituents are (pyridin-4-ylmeth­yl)carboxamide. Both compounds crystallize in the monoclinic space group P21/n, with Z′ = 1 for (I), and Z′ = 0.5 for (II). The whole mol­ecule of (II) is generated by inversion symmetry, the pyrazine ring being situated about a center of inversion. In (I), the four pyridine rings are inclined to the pyrazine ring by 83.9 (2), 82.16 (18), 82.73 (19) and 17.65 (19)°. This last dihedral angle involves a pyridine ring that is linked to the adjacent carboxamide O atom by an intra­molecular C—H⋯O hydrogen bond. In compound (II), the unique pyridine rings are inclined to the pyrazine ring by 33.3 (3) and 81.71 (10)°. There are two symmetrical intra­molecular C—H⋯O hydrogen bonds present in (II). In the crystal of (I), mol­ecules are linked by N—H⋯O and N—H⋯N hydrogen bonds, forming layers parallel to (10-1). The layers are linked by C—H⋯O and C—H⋯N hydrogen bonds, forming a three-dimensional framework. In the crystal of (II), mol­ecules are linked by N—H⋯N hydrogen bonds, forming chains propagating along the [010] direction. The chains are linked by a weaker N—H⋯N hydrogen bond, forming layers parallel to the (101) plane, which are in turn linked by C—H⋯O hydrogen bonds, forming a three-dimensional structure. In the crystal of compound (I), a region of disordered electron density was treated with the SQUEEZE routine in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. Their contribution was not taken into account during refinement. In compound (II), one of the pyridine rings is positionally disordered, and the refined occupancy ratio for the disordered Car—Car—Npy atoms is 0.58 (3):0.42 (3).

【 授权许可】

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