The title compound 1,4-bis(benztriazol-1-ylmethyl)-2,4,5,6-trimethylbenzene crys- tallizes in the monoclinic system, space group Pbca with a = 9.842(5), b = 9.455(5), c = 22.165(12) ?, V = 2062.6(18) ?3, Dc = 1.277 ...The title compound 1,4-bis(benztriazol-1-ylmethyl)-2,4,5,6-trimethylbenzene crys- tallizes in the monoclinic system, space group Pbca with a = 9.842(5), b = 9.455(5), c = 22.165(12) ?, V = 2062.6(18) ?3, Dc = 1.277 g/cm3, Z = 4, C24H24N6, Mr = 396.49, μ(MoKa) = 0.079 mm-1 and F(000) = 840. The structure was refined to R = 0.0662 and wR = 0.1891 for 1163 observed reflections (I > 2σ(I)). The title molecule has trans-conformation about the central phenyl ring. The zigzag-like molecules are connected by face-to-face π…π stacking to form an infinite 2D layer.展开更多
The compound 1,3,5-tris(benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene, crystallizes in the monoclinic system, space group P21/c, with a = 17.571(4), b = 10.860(2), c = 14.126(3) ?; ( = 92.89(3)(, V = 2692(1) ?3, Dc ...The compound 1,3,5-tris(benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene, crystallizes in the monoclinic system, space group P21/c, with a = 17.571(4), b = 10.860(2), c = 14.126(3) ?; ( = 92.89(3)(, V = 2692(1) ?3, Dc = 1.260 g/cm3, Z = 4, C33H30N6, Mr = 510.63, ((MoK() = 0.077mm-1, F (000) = 1080. The structure was refined to R = 0.0592, wR = 0.1379 for 1492 (I(2((I)) reflections. The title molecule has cis, trans, trans-conformation about the central phenyl ring. The screw-related molecules are connected by hydrogen bonds C-H(((N (x, -0.5-y, 0.5+z) and form the infinite helical chains. The polar molecular chains are antiparallelly stacked through edge-to-face C-H…πinteractions.展开更多
The title compound N,N′-4-aminomethyl-pyromellitic diimide （4-pmpmd） crystallizes in monoclinic, space group P21/c with a = 4.785（1）, b = 6.200（1）, c = 29.907（2） A, β = 93.583（11）°, V= 885.5（2） A^3,...The title compound N,N′-4-aminomethyl-pyromellitic diimide （4-pmpmd） crystallizes in monoclinic, space group P21/c with a = 4.785（1）, b = 6.200（1）, c = 29.907（2） A, β = 93.583（11）°, V= 885.5（2） A^3, Dc = 1.494 g/cm^3, Z= 2, C22H14N4O4, Mr = 398.37,/t（MoKα） = 0.106 mm^-1 and F（000） = 412, and its structure was refined to R = 0.0469 and wR = 0.1017 for 1194 observed reflections （F0 〉 4σ（F0））. The X-ray diffraction shows the existence of the staggered strong intermolecular C-H…O （DA） hydrogen bonds between adjacent molecules, the intermo- lecular C-H…π hydrogen bonds and the weak π…π stacking interactions, leading to the formation of multi-dimensional supramolecular network based on the Z-mode conformation of the title compound.展开更多
文摘The title compound 1,4-bis(benztriazol-1-ylmethyl)-2,4,5,6-trimethylbenzene crys- tallizes in the monoclinic system, space group Pbca with a = 9.842(5), b = 9.455(5), c = 22.165(12) ?, V = 2062.6(18) ?3, Dc = 1.277 g/cm3, Z = 4, C24H24N6, Mr = 396.49, μ(MoKa) = 0.079 mm-1 and F(000) = 840. The structure was refined to R = 0.0662 and wR = 0.1891 for 1163 observed reflections (I > 2σ(I)). The title molecule has trans-conformation about the central phenyl ring. The zigzag-like molecules are connected by face-to-face π…π stacking to form an infinite 2D layer.
基金the National Natural Science Foundation of China and Natural Science Foundation of Guangdong Province.
文摘The compound 1,3,5-tris(benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene, crystallizes in the monoclinic system, space group P21/c, with a = 17.571(4), b = 10.860(2), c = 14.126(3) ?; ( = 92.89(3)(, V = 2692(1) ?3, Dc = 1.260 g/cm3, Z = 4, C33H30N6, Mr = 510.63, ((MoK() = 0.077mm-1, F (000) = 1080. The structure was refined to R = 0.0592, wR = 0.1379 for 1492 (I(2((I)) reflections. The title molecule has cis, trans, trans-conformation about the central phenyl ring. The screw-related molecules are connected by hydrogen bonds C-H(((N (x, -0.5-y, 0.5+z) and form the infinite helical chains. The polar molecular chains are antiparallelly stacked through edge-to-face C-H…πinteractions.
基金This work is financially supported by NNSF of China (No. 20303027)
文摘The title compound N,N′-4-aminomethyl-pyromellitic diimide （4-pmpmd） crystallizes in monoclinic, space group P21/c with a = 4.785（1）, b = 6.200（1）, c = 29.907（2） A, β = 93.583（11）°, V= 885.5（2） A^3, Dc = 1.494 g/cm^3, Z= 2, C22H14N4O4, Mr = 398.37,/t（MoKα） = 0.106 mm^-1 and F（000） = 412, and its structure was refined to R = 0.0469 and wR = 0.1017 for 1194 observed reflections （F0 〉 4σ（F0））. The X-ray diffraction shows the existence of the staggered strong intermolecular C-H…O （DA） hydrogen bonds between adjacent molecules, the intermo- lecular C-H…π hydrogen bonds and the weak π…π stacking interactions, leading to the formation of multi-dimensional supramolecular network based on the Z-mode conformation of the title compound.
