Antoine Hardy, François Gérard, Abdou Soilihi, Kamran Ahmadi, Anne-Marie Hardy
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引用次数: 0
摘要
1,3,5-三甲基-2,4,6-三硝基苯(TNM)的原始结构是由六边形伪对称的独立平面层组成的，类似于棱镜单晶。这些层与(20)平行，层间距离大于两个苯环的标准间距。NO2基团平面和计数苯环基本正常。这和甲基共振使两个对称分子在不同层中的层间氧氢距离最小。晶体数据:三斜，空间群P, a = 8.268(1) Å， b = 8.7890(5) Å， c = 9.932(1) Å， α = 108.12(1)°，β= 113.25(1)°，γ = 95.19(1)°，V= 549.7(2) Å3, Z = 2, R(F)= 5.1%， 1 822个观测反射γ F02 >3σ(F02)
Crystal structure of 1,3,5-trimethyl-2,4,6-trinitrobenzene, trisubstituted picryl group
The original structure of 1,3,5-trimethyl-2,4,6-trinitrobenzene (TNM) is composed of separate planar layers with hexagonal pseudo-symmetry, like a prismatic single crystal. These layers are parallel to (20) and the interlayer distance is greater than the standard spacing for two benzene rings. NO2 group planes and the tallying benzene ring are nearly normal. This and the methyl group resonance minimize the interlayer oxygen-hydrogen distances of two symmetrical molecules in separate layers. Crystal data: triclinic, space group P, a = 8.268(1) Å, b = 8.7890(5) Å, c = 9.932(1) Å, α = 108.12(1)°, β= 113.25(1)°, γ = 95.19(1)°, V= 549.7(2) Å3, Z = 2, R(F)= 5.1 %, 1 822 observed reflections ¦F02 > 3 σ(F02)
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