论文部分内容阅读
Two new binary cocrystals formulated as POM·NBA 1 and POM·DNSA 2 (POM = 3-methyl-4-nitro-pyridine-N-oxide, NBA = o-nitrobenzoic acid, DNSA = 3,5-dinitrosalicylic acid) have been successfully synthesized and characterized by elemental analysis, IR and X-ray single- crystal diffraction analysis. The crystal of 1 crystallizes in triclinic, space group P1, with a = 7.621(4), b = 7.816(4), c = 11.702(5) , α = 87.957(10), β = 83.642(10), γ = 81.535(10)o, C13H11N3O7, Z = 2, Mr = 321.25, V = 685.1(6) 3, Dc = 1.557 g/cm3, F(000) = 332, μ = 0.129 mm-1, the final R = 0.0632 and wR = 0.0831. The crystal of 2 crystallizes in monoclinic, space group P21/c with a = 14.910(9), b = 5.904(3), c =19.321(12) , β = 110.583(10)o, C13H10N4O10, Z = 4, Mr = 382.25, V = 1592.1(16) 3, Dc = 1.595 g/cm3, F(000) = 784, μ = 0.140 mm-1, the final R = 0.0598 and wR = 0.1589. Further structure analysis reveals that the POM with NBA and DNSA molecules in 1 and 2 are linked into 3D structures by the combination of strong O–H…O and weak C–H…O hydrogen bonds, π…π stackings and diverse short contacts, in which different C–H…O weak hydrogen bonds may play a key role in constructing the network structures.
Two new binary cocrystals formulated as POM • NBA 1 and POM • DNSA 2 (POM = 3-methyl-4-nitro-pyridine-N-oxide, NBA = o-nitrobenzoic acid, DNSA = 3,5-dinitrosalicylic acid) have been The synthesized of and characterized by elemental analysis, IR and X-ray single-crystal diffraction analysis. The crystal of 1 crystallizes in triclinic, space group P1 with a = 7.621 (4), b = 7.816 5 = .9, α = 87.957 (10), β = 83.642 (10), γ = 81.535 (10) o, C13H11N3O7, Z = 2, Mr = 321.25 and V = 685.1 (6) the final R = 0.0632 and wR = 0.0831. The crystal of 2 crystallizes in monoclinic, space group P21 / c with a = 14.910 (9), b = 5.904 (3) c = 19.321 (12) β β = 110.583 (10) o C13H10N4O10 Z = 4 Mr = 382.25 V = 1592.1 (16) 3 Dc = 1.595 g / cm3 F = 784, μ = 0.140 mm-1, the final R = 0.0598 and wR = 0.1589. Further structure analysis reveals that the POM with NBA and DNSA molecules in 1 and 2 are linked into 3D structures by the c ombination of strong O-H ... O and weak C-H ... O hydrogen bonds, π ... π stackings and diverse short contacts, in which different C-H ... O weak hydrogen bonds may play a key role in constructing the network structures.