A novel porphyrin based on 5,10,15,20-tetrakis(4-ethylphenyl) porphyrin (TEPP) was analyzed by X-ray diffraction techniques. This compound crystallizes as a bright purple block in the monoclinic system, space group P2₁/n, with a = 10.4224 (12) Å, b = 9.5711 (9) Å, c = 21.2750 (2) Å, β = 102.488 (11) °, V = 2072.1 (4) ų and Z = 2. The refinement converged to R₁(F) = 0.0675, wR₂(F²) = 0.2605 and S = 1.050. The supramolecular packing array involves N–H···N hydrogen bonds, H···π and π···π interactions. Hirshfeld surface analysis revealed that the H···H (70.0%) interactions have a major contribution to the molecular surface. The energy frameworks were computed using the basis set B3LYP/6–31G(d,p) and, using this model the electrostatic, polarization, dispersion and repulsion energies were determined, as well as the interaction energies for all molecular units within of a sphere 3.8 Å around the central molecule. The dispersion energy (E^'_dis =-225.7 kJ/mol) framework is dominant over the electrostatic energy ((E^'_ele=-35.5 kJ/mol) framework.

通过X射线衍射技术分析了一种基于5,10,15,20-四（4-乙基苯基）卟啉（TEPP）的新型卟啉。该化合物在单斜晶系空间群P2 ₁ / n中结晶为亮紫色块，a  = 10.4224（12）Å，b  = 9.5711（9）Å，c  = 21.2750（2）Å，β= 102.488（11 ）°，V  = 2072.1（4）³和ž  = 2。细化会聚至R ₁（F）= 0.0675，WR ₂（F ²）= 0.2605和小号 = 1.050。超分子堆积阵列涉及N–H ··· N个氢键，H ··· π和π ···π相互作用。Hirshfeld表面分析表明，H ··· H（70.0％）相互作用对分子表面起主要作用。使用基集B3LYP / 6–31G（d，p）计算能量框架，并使用该模型确定静电，极化，色散和排斥能，以及球内所有分子单元的相互作用能中心分子周围3.8Å。该分散体的能量（E ^' _DIS = -225.7千焦/摩尔）框架是通过静电能量（（E显性^' _ELE = -35.5千焦/摩尔）框架。