The Crystal Structures Of Caffeine And Matrine Compounds

We have synthesized six compounds using Matrine and Caffeine with Perchloric Acid or some metal inorganic acids. The results of X-ray crystal structures of the compounds are following:The 1:2:2 complex of matrine, perchloric acid and water crystallizes in the orthorhombic space group P2₁ with a = 8.4889(7) A, b = 12.5506(11) A, c = 19.6508(17) A, (3 = 95.573(2)°, V = 2083.7(3) A3, Z = 27. The O atom of carbonyl in the matrine is protonated.The Matrinium Tetrachloroironate crystallizes in the orthorhombic space group P 21 21 21, with a = 8.4871(8) A, b = 12.9037(12) A, c = 18.2256(17) A, V = 1996.0(3) A³, Z = 4, R=0.0544. FeCl₄^- anion is linked to the matrine cation via hydrogen bond of C-H...C1.The 1:1 complex of matrine and zinc chloride crystallizes in the monoclinic space group P2₁, with a = 7.804(1) A, b = 13.597(2)A, c = 9.093(1) A, β = 108.41(1)°, V = 915.49(23) A3, Z = 2. In this complex, the matrinium ligand is coordinated with Zn via O atom from carbonyl group.The Caffeinium Perchloride Monohydrate crystallizes in the monoclinic space group P2i/c, with a = 13.061(2) A,b = 6.508(1) A, c -16.963(4) A, p = 112.20(1)°, V = 1335.04(46) A3, Z = 4. Both of the H atoms on perchloride acid and water molecule are disordered.The hexaaquazinc(II) bis(trichlorocaffeine-zincate(II))dihydrateocrystallizes in the monoclinic space group P2i/n, with a = 8.8699(6) A, b =19.7245(13) A, c =10.8701(7) A, ï¿¡ = 111.508 (1)°, V = 1769.3(2) A3, Z = 4. Caffeine is coordinated with zinc chloride and connected to hexaaquazinc(II) by hydrogen bonds.The Biscaffeine[Tetrachloro-di-copper(II)(H2O)] crystallizes in theo omonoclinic space group P2i/n,with a =9.761(2) A, b - 12.891(3) A, c =10.901(2) A, (3 =110.64(2)°, V = 1283.69(63) A3, Z = 4. The structure is built up by 0-H**-0 hydrogen bonds. There are three C-H"*O intramolecular hydrogen bonds in the caffeine ligandFrom IR we get the information that the bands are red shift if there are hydrogen bonds concerned. Organic complexes which are coordinated with metals have no apparent effect to IR.