2009•Chinese Journal of Structural ChemistryRequires access

Syntheses and Crystal Structures of Two New Organically Templated Borates:[(C_2H_(10)N_2)]2[B_(14)O_(20)(OH)_6] and [C_8H_(22)N_4][B_5O_6(OH)_4]_2

Huan Liu

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Abstract

Two new nonmetal borates, [(C2H10N2)]2[B14O20(OH)6] 1 and [C8H22N4][B5O6(OH)4]2 2, have been synthesized under mild conditions and characterized by single-crystal X-ray diffraction, FTIR, elemental analysis and thermogravimetric analysis. Crystal data for compound 1: triclinic, space group P1, a = 8.4979(17), b = 8.8498(18), c = 10.065(2) , α = 95.01(3), β = 96.99(3), γ = 116.82(3)o, V = 661.8(3)3, Z = 1, Mr = 697.63, Dc = 1.751 g/cm3, μ = 0.163 mm-1, F(000) = 356, the final R = 0.0372 and wR = 0.0968 (I 2σ(I)); and those for compound 2: monoclinic, space group P21/c, a = 9.1867(18), b = 14.118(3), c = 10.334(2) , β = 91.48(3)o, V = 1339.8(5) 3, Z = 2, Mr = 610.46, Dc = 1.513 g/cm3, μ = 0.135 mm-1, F(000) = 632, the final R = 0.0350 and wR = 0.0912 (I 2σ(I)). For both 1 and 2, the anionic units are interlinked via O–H···O hydrogen bonds to form a 3D supramolecular network, while the protonated cations are located in the free space of the inorganic borate framework and interact with the anions by electrostatic attraction and extensive N–H···O hydrogen bonds.

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Two new nonmetal borates, [(C2H10N2)]2[B14O20(OH)6] 1 and [C8H22N4][B5O6(OH)4]2 2, have been synthesized under mild conditions and characterized by single-crystal X-ray diffraction, FTIR, elemental analysis and thermogravimetric analysis. Crystal data for compound 1: triclinic, space group P1, a = 8.4979(17), b = 8.8498(18), c = 10.065(2) , α = 95.01(3), β = 96.99(3), γ = 116.82(3)o, V = 661.8(3)3, Z = 1, Mr = 697.63, Dc = 1.751 g/cm3, μ = 0.163 mm-1, F(000) = 356, the final R = 0.0372 and wR = 0.0968 (I 2σ(I)); and those for compound 2: monoclinic, space group P21/c, a = 9.1867(18), b = 14.118(3), c = 10.334(2) , β = 91.48(3)o, V = 1339.8(5) 3, Z = 2, Mr = 610.46, Dc = 1.513 g/cm3, μ = 0.135 mm-1, F(000) = 632, the final R = 0.0350 and wR = 0.0912 (I 2σ(I)). For both 1 and 2, the anionic units are interlinked via O–H···O hydrogen bonds to form a 3D supramolecular network, while the protonated cations are located in the free space of the inorganic borate framework and interact with the anions by electrostatic attraction and extensive N–H···O hydrogen bonds.

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Available abstract

Two new nonmetal borates, [(C2H10N2)]2[B14O20(OH)6] 1 and [C8H22N4][B5O6(OH)4]2 2, have been synthesized under mild conditions and characterized by single-crystal X-ray diffraction, FTIR, elemental analysis and thermogravimetric analysis. Crystal data for compound 1: triclinic, space group P1, a = 8.4979(17), b = 8.8498(18), c = 10.065(2) , α = 95.01(3), β = 96.99(3), γ = 116.82(3)o, V = 661.8(3)3, Z = 1, Mr = 697.63, Dc = 1.751 g/cm3, μ = 0.163 mm-1, F(000) = 356, the final R = 0.0372 and wR = 0.0968 (I 2σ(I)); and those for compound 2: monoclinic, space group P21/c, a = 9.1867(18), b = 14.118(3), c = 10.334(2) , β = 91.48(3)o, V = 1339.8(5) 3, Z = 2, Mr = 610.46, Dc = 1.513 g/cm3, μ = 0.135 mm-1, F(000) = 632, the final R = 0.0350 and wR = 0.0912 (I 2σ(I)). For both 1 and 2, the anionic units are interlinked via O–H···O hydrogen bonds to form a 3D supramolecular network, while the protonated cations are located in the free space of the inorganic borate framework and interact with the anions by electrostatic attraction and extensive N–H···O hydrogen bonds.

Key concepts: Triclinic crystal system, Chemistry, Monoclinic crystal system, Hydrogen bond, Boron, Crystallography, Protonation, Thermogravimetric analysis

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Syntheses and Crystal Structures of Two New Organically Templated Borates:[(C_2H_(10)N_2)]2[B_(14)O_(20)(OH)_6] and [C_8H_(22)N_4][B_5O_6(OH)_4]_2 — Research Paper | ScholarLens