engleski

6,12-Dihydro-2,8-dihydroxy-1,3,7,9-teramethyl-dipyrido[1,2-a:1',2'-d] pyrazinediium dichloride dihydrate

The condensed tricyclic molecules which incorporate nitrogen atoms in central ring have been synthesised and described in literature with a wide variety of substituents. However, whereas many of the phenazine and acridine type of molecules have been structurally characterised, the Cambridge Structural Database (CSD) search for dipyrido[1,2-a:1',2'-d]pyrazinediium cation recorded only one hit, i.e. the structure of 6,12-dipyrido[1,2-a:1',2'-d]pyrazinediium dibromide methanol solvate. In this structure, the dipyrido[1,2-a:1',2'-d]pyrazinediium moiety lies across a crystallographic mirror plane as does the bromide ion and carbon atom of methanol solvate. The central ring of the dication is non-planar with dihedral angle of 141o, similar to those found in the folded 9,10-dihydronathracene systems. We report the structure of 6,12-dihydro-2,8-dixydroxy-1,3,7,9-tetramethyl-dipyrido[1,2-a:1',2'-d]pyrazinediium dichloride dihydrate. The crystal structure of the title compound is comprised of pyrido-pyrazine cations, chloride anions and water molecule. The cations posses 2/m symmetry and the mirror planes in the cell are occupied by the cation, the chloride anion and oxygen atom of the water molecule. The cation also lies about an inversion centre, which is at the midpoint of central dipyridyl ring. Molecules are linked by O-H…O and O-H…Cl hydrogen bonds to form infinite chains and the chains are cross-connected by C-H…Cl attractive interactions. Crystal Data: [C16H20N2O2]2+2Cl-ˇ2H20, monoclinic space group I 2/m, Z=8, a=11.2550(15), b=6.8650(13), c=11.9530(12) A, V=895.5(12) A3, Dx=1.407 gcm-3, F(000)=400, mu(MoKa)=0.385 mm-1. RF2=0.1334 and S=1.113 for 99 parameters and 1389 unique reflections, while RF=0.0438 for 1147 observed reflections with I > 2sigma(I) criterion.

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