二乙基{2,2,2-三氯-1-[2-(1,3-二氧代-2,3-二氢-1-异吲哚-2-基)-4-甲基戊酰胺基]乙基}膦酸酯的晶体结构

Brovarets V S, Golovchenko O V, Rusanov E B, Rusanova J A

Institute of Bioorganic Chemistry and Petrochemistry, National Academy of, Sciences of Ukraine, 1 Murmanska St., Kyiv 02660, Ukraine.

Institute of Organic Chemistry, National Academy of Sciences of Ukraine, 5, Murmanska St., Kyiv 02660, Ukraine.

Acta Crystallogr E Crystallogr Commun. 2018 Jun 8;74(Pt 7):915-917. doi: 10.1107/S2056989018008277. eCollection 2018 Jul 1.

In the title phospho-rylated compound, CHClNOP, the phthalimide unit is essentially planar (r.m.s. deviation = 0.0129 Å) and the O atoms of this unit deviate from the mean plane by 0.080 (3) and 0.041 (3) Å. In the crystal, pairs of mol-ecules are linked by N-H⋯O and weak C-H⋯O hydrogen bonds involving the same acceptor atom, forming inversion dimers. In addition, π-π stacking inter-actions between the phthalimide groups, with a centroid-centroid distance of 3.7736 (13) Å, and further weak C-H⋯O hydrogen bonds connect the inversion dimers into columns along [01].

在标题中的磷酸化化合物CHClNOP中，邻苯二甲酰亚胺单元基本呈平面状（均方根偏差 = 0.0129 Å），该单元的O原子偏离平均平面0.080 (3) Å和0.041 (3) Å。在晶体中，分子对通过涉及相同受体原子的N—H⋯O和弱C—H⋯O氢键相连，形成反演二聚体。此外，邻苯二甲酰亚胺基团之间的π-π堆积相互作用，质心间距为3.7736 (13) Å，以及进一步的弱C—H⋯O氢键将反演二聚体沿[01]方向连接成柱。