Two New Inclusion 1,4-Butylenediphosphonates with 3D Hydrogen-bonded Frameworks

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Two new inclusion 1,4-butylenediphosphonates with three-dimensional hydrogen- bonded frameworks have been synthesized and determined by single-crystal X-ray diffraction. In compound 1, the two-dimensional cationic substructures interpenetrate into the anionic framework, and in compound 2, the cations are encapsulated in the three-dimensional framework. Crystal 1 (C14H24N2O8P2) belongs to triclinic, space group P?with a = 9.4645(2), b = 9.6490(2), c = 11.9479(3) ? = 79.7420(10), b = 73.5650(10), = 63.8420(10)u001f, V = 937.55(4) 3, Z = 2, Mr = 410.29, Dc = 1.453 g/cm3, m(MoKa) = 0.276 mm-1, F(000) = 432, the final R = 0.0465 and wR = 0.1304 for 3274 independent reflections. Crystal 2 (C18H26N2O10P2) is of monoclinic, space group P21/c with a = 9.7069(12), b = 16.227(2), c = 6.9339(9) ? b = 98.834(3)u001f, V = 1079.2(2) ?, Z = 2, Mr = 492.35, Dc = 1.515 g/cm3, m(MoKa) = 0.261 mm-1, F(000) = 516, the final R = 0.0611 and wR = 0.1162 for 1871 independent reflections. Two new inclusion 1,4-butylenediphosphonates with three-dimensional hydrogen-bonded frameworks have been synthesized and determined by single-crystal X-ray diffraction. In compound 1, the two-dimensional cationic substructures interpenetrate into the anionic framework, and in compound 2 , the cations are encapsulated in the three-dimensional framework. Crystal 1 (C14H24N2O8P2) belongs to triclinic, space group P with a = 9.4645 (2), b = 9.6490 (2), c = 11.9479? = 79.7420 B = 73.5650 (10) = 63.8420 (10) u001f V = 937.55 (4) 3 Z = 2 Mr = 410.29 Dc = 1.453 g / cm3 MoKa = 0.276 mm-1 (2), F (000) = 432, the final R = 0.0465 and wR = 0.1304 for 3274 independent reflections. Crystal 2 (C18H26N2O10P2) is of monoclinic, space group P21 / c with a = 9.7069 (12), b = , c = 6.9339 (9)? b = 98.834 (3) u001f, V = 1079.2 (2) ?, Z = 2, Mr = 492.35, Dc = 1.515 g / cm3 and m (MoKa) = 0.261 mm- F (000) = 516, the final R = 0.0611 and wR = 0.1162 for 1871 independent reflections.
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