CRYSTAL STRUCTURE OF 1-CYCLOHEXYLPIPERAZINE-1,4-DIIUM DICHROMATE(VI)
Single crystals of 1-cyclohexylpiperazine-1,4-diium dichromate(VI), (C10H22N2)[Cr2O7], were obtained by slow evaporation at room temperature from an aqueous solution of potassium dichromate, hydrochloric acid and 1-cyclohexylpiperazine. (C10H22N2)[Cr2O7] is triclinic (P1 ) with a = 10.351(2) Å, b = 12.766(3) Å, c = 6.111(1) Å, D = 91.50(2)q, E = 104.26(3)q, J = 94.91(2)q, V = 778.8(3) Å3, and Z = 2. The structure determination performed from single crystal X-ray diffraction data leads to R1/wR2 reliability factors of 0.032/0.078. The asymmetric unit of the title salt CH N2? CrO2,consists of one 1-cyclohexylpiperazine-1,4-diium dication and one dichromate dianion. These entities are linked together by N—HѱO hydrogen bonds to form {(C10H22N2)[Cr2O7]}n infinite chains lying parallel to the (100) plane and running along the c axis. The intermolecular N—HѱO hydrogen bonds link these chains into a two-dimensional network structure consolidated through C—HѱO weak interactions.
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The structure determination performed from single crystal X-ray diffraction data leads to R1/wR2 reliability factors of 0.032/0.078. <...> The asymmetric unit of the title salt 22 bonds to form {(C10H22N2)[Cr2O7]}n infinite chains lying parallel to the (100) plane and running along the c axis. <...> The intermolecular N—H dication and one dichromate dianion. <...> These entities are linked together by N—H two-dimensional network structure consolidated through C—H DOI: 10.15372/JSC20160326 CH N Cr O , consists of one 1-cyclohexylpiperazine-1,4-diium 10 22 2 2 7 O hydrogen O hydrogen bonds link these chains into a O weak interactions. <...> Since the discovery in 1979 of pyridinium dichromate as a mild reagent for the oxidation of alcohols [ 1 ], a large number of dichromates of protonated organic bases have been prepared and used as reagents in mild selective oxidation processes of organic substrates, such as quinolinium dichromate [ 2 ], tetramethylethylenediammonium dichromate [ 3 ], benzimidazolium dichromate [ 4 ], piperazinium dichromate [ 5 ], cetyltrimethylammonium dichromate [ 6 ], and others have been the subject of structural studies [ 7—10]. <...> Anisotropic displacements were used for C, N, O, and Cr while the H atoms were placed in calculated positions and refined using a riding model with C—H = 0.97 or 0.98 Е, N—H = 0.90 Е, and with isotropic temperature factors Uiso(H) = = 1.2 Ueq(C, N). <...> The molecular structure of I is shown in Fig. 1. <...> These conformations have also been noted in the crystal structure of 1-cyclohexylpiperazine-1,4-diium tetrachloridozincate [ 16 ]. <...> The differences in the molecular structure of 1-cyclohexylpiperazine-1,4-diium tetrachloridozincate relate to a variation in the orientation of piperazinium and cyclohexyl groups and in the nature of the intermolecular interactions between them. <...> The different orientations are probably best described by the dihedral angles formed between the least-squares planes through the pairs of rings, i.e. 5.53(6) and 67.72(5) for dichromate I and the tetrachloridozincate compounds respectively. <...> The N—C and C—C bonds lengths, and the C—C—N and C—N—C angles in the piperazinium ring are comparable with those observed for other compounds containing the piperazinium group, such as piperazinium chromate and piperazinium dichromate [ 17 ]. <...> These values are in good agreement with those usually <...>
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