Helliwell Madeleine, Aghazadeh Masomeh, Baradarani Mehdi M, Joule John A
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 18;65(Pt 12):o3114. doi: 10.1107/S1600536809047606.
The asymmetric unit of the title compound, C(13)H(14)N(2)·1.5H(2)O, contains two similar mol-ecules of 3-(1-methyl-pyrrolidin-2-yl-idene)-3H-indole, (I), and three water mol-ecules. (I) is the product of reacting indole with 1-methyl-pyrrolidin-2-one in the presence of phospho-rus oxychloride. Both organic molecules are almost completely planar; the maximum distances above and below the least-squares plane through all the atoms of mol-ecule 1 are 0.050 (8) and -0.045 (8) Å, respectively, and the deviations for mol-ecule 2 are 0.096 (8) and -0.059 (8) Å, respectively. In the crystal, the two crystallographically different mol-ecules alternate in π-stacked columns [centroid-centroid distances = 3.729 (5) and 3.858 (5) Å], which are linked by O-H⋯N hydrogen bonds to a network of hydrogen-bonded water mol-ecules. O-H⋯O inter-actions are also present.
标题化合物C(13)H(14)N(2)·1.5H(2)O的不对称单元包含两个相似的3-(1-甲基-吡咯烷-2-亚基)-3H-吲哚分子(I)和三个水分子。(I)是吲哚与1-甲基-吡咯烷-2-酮在三氯氧磷存在下反应的产物。两个有机分子几乎完全平面;通过分子1所有原子的最小二乘平面上方和下方的最大距离分别为0.050(8)和-0.045(8)Å,分子2的偏差分别为0.096(8)和-0.059(8)Å。在晶体中,两个晶体学上不同的分子在π堆积柱中交替排列[质心-质心距离 = 3.729(5)和3.858(5)Å],它们通过O-H⋯N氢键与氢键连接的水分子网络相连。还存在O-H⋯O相互作用。