Siva V, Suresh M, Athimoolam S, Asath Bahadur S
Department of Physics, School of Advanced Sciences, Kalasalingam Academy of Research and Education, Krishnankoil - 626 126, India.
Condensed Matter Physics Laboratory, International Research Centre, Kalasalingam Academy of Research and Education, Krishnankoil - 626 126, India.
Acta Crystallogr E Crystallogr Commun. 2019 Oct 8;75(Pt 11):1627-1631. doi: 10.1107/S2056989019012957. eCollection 2019 Nov 1.
Amino-pyridine and phthalic acid are well known synthons for supra-molecular architectures for the synthesis of new materials for optical applications. The 2-amino-pyridinium hydrogen phthalate title salt, CHN ·CHO , crystallizes in the non-centrosymmetric space group 2. The nitro-gen atom of the -NH group in the cation deviates from the fitted pyridine plane by 0.035 (7) Å. The plane of the pyridinium ring and phenyl ring of the anion are oriented at an angle of 80.5 (3)° to each other in the asymmetric unit. The anion features a strong intra-molecular O-H⋯O hydrogen bond, forming a self-associated (7) ring motif. The crystal packing is dominated by inter-molecular N-H⋯O hydrogen bonds leading to the formation of 2 helices, with a (11) chain motif. They propagate along the axis and enclose (8) ring motifs. The helices are linked by C-H⋯O hydrogen bonds, forming layers parallel to the plane. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to investigate and qu-antify the inter-molecular inter-actions in the crystal.
氨基吡啶和邻苯二甲酸是用于合成光学应用新材料的超分子结构的著名合成子。标题盐邻苯二甲酸氢2-氨基吡啶鎓（CHN·CHO）在非中心对称空间群2中结晶。阳离子中-NH基团的氮原子偏离拟合的吡啶平面0.035（7）Å。在不对称单元中，吡啶鎓环平面与阴离子的苯环平面相互成80.5（3）°角。阴离子具有强的分子内O-H⋯O氢键，形成自缔合的（7）环基序。晶体堆积主要由分子间N-H⋯O氢键主导，导致形成2个螺旋，具有（11）链基序。它们沿轴传播并包围（8）环基序。螺旋通过C-H⋯O氢键相连，形成平行于平面的层。使用 Hirshfeld 表面分析和二维指纹图谱来研究和量化晶体中的分子间相互作用。
