Leonarska Agnieszka, Zubko Maciej, Kuś Piotr, Kusz Joachim, Ratuszna Alicja
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2797-8. doi: 10.1107/S1600536812036495. Epub 2012 Aug 25.
In the title compound, C(48)H(38)N(4)O(8)·C(3)H(6)O(2), the porphyrin mol-ecule is centrosymmetric. The propionic acid solvent mol-ecule is disordered over two sets of sites with equal occupancy factors. The porphyrin central core is almost planar, with an r.m.s. deviation of the fitted atoms of 0.045 Å. The substituent benzene rings make dihedral angles of 70.37 (4) and 66.95 (4)° with respect to the porphyrin core plane. The crystal structure is stabilized by an inter-esting network of hydrogen bonds. Porphyrin mol-ecules are connected by O-H⋯O hydrogen bonds creating ribbons running along the [101] direction. Weak C-H⋯O hydrogen bonds connect separate mol-ecular ribbons in the [110] direction, creating (-111) layers. Intra-molecular N-H⋯N hydrogen bonds also occur. The propionic acid molecules are connected by pairs of -H⋯O hydrogen bonds, creating dimers.
在标题化合物C(48)H(38)N(4)O(8)·C(3)H(6)O(2)中，卟啉分子具有中心对称性。丙酸溶剂分子在两组位置上无序分布，占据因子相等。卟啉中心核几乎是平面的，拟合原子的均方根偏差为0.045 Å。取代苯环与卟啉核平面的二面角分别为70.37(4)°和66.95(4)°。晶体结构通过一个有趣的氢键网络得以稳定。卟啉分子通过O-H⋯O氢键相连，形成沿[101]方向延伸的带状结构。弱C-H⋯O氢键在[110]方向连接不同的分子带，形成(-111)层。分子内也存在N-H⋯N氢键。丙酸分子通过成对的-H⋯O氢键相连，形成二聚体。
