TY - JOUR
T1 - 3-(1-Methylpyrrolidin-2-yl-idene)-3H-indole sesquihydrate
AU - Helliwell, Madeleine
AU - Aghazadeh, Masomeh
AU - Baradarani, Mehdi M.
AU - Joule, John A.
PY - 2009
Y1 - 2009
N2 - The asymmetric unit of the title compound, C13H 14N2·1.5H2O, 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.
AB - The asymmetric unit of the title compound, C13H 14N2·1.5H2O, 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.
U2 - 10.1107/S1600536809047606
DO - 10.1107/S1600536809047606
M3 - Article
SN - 1600-5368
VL - 65
SP - o3114
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 12
ER -