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Журнал структурной химии  / №3 2016

CRYSTAL STRUCTURE OF 1-CYCLOHEXYLPIPERAZINE-1,4-DIIUM DICHROMATE(VI) (300,00 руб.)

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Первый авторChebbi
АвторыBen R., Zid M.F.
Страниц3
ID364712
АннотацияSingle 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.
УДК548.73:546.76:546.21
Chebbi, H. CRYSTAL STRUCTURE OF 1-CYCLOHEXYLPIPERAZINE-1,4-DIIUM DICHROMATE(VI) / H. Chebbi, R. Ben, M.F. Zid // Журнал структурной химии .— 2016 .— №3 .— С. 210-212 .— URL: https://rucont.ru/efd/364712 (дата обращения: 25.04.2024)

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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]. <...> In continuation of our structural study of a new hybrid compound containing an organic cation and an Cr27 compound 22 CH N Cr O  10 22 2 2 7 (I). <...> The structure was solved by direct methods with SHELXS-97 and expanded using Fourier techniques [ 14 ]. <...> 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. <...> 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 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 ]. <...> In the dichromate group each chromium atom is surrounded <...>