TY - JOUR
T1 - 2-(4-hydroxyphenyl)-1H-benzimidazol-3-ium chloride monohydrate
AU - González-Padilla, Jazmin E.
AU - Rosales-Hernández, Martha Cecila
AU - Padilla-Martínez, Itzia I.
AU - García-Báez, Efren V.
AU - Rojas-Lima, Susana
PY - 2013/9
Y1 - 2013/9
N2 - The title molecular salt, C13H11N2O +·Cl-·H2O, crystallizes as a monohydrate. In the cation, the phenol and benzimidazole rings are almost coplanar, making a dihedral angle of 3.18 (4)°. The chloride anion and benzimidazole cation are linked by two N+ - H⋯Cl- hydrogen bonds, forming chains propagating along [010]. These chains are linked through O - H⋯Cl hydrogen bonds involving the water molecule and the chloride anion, which form a diamond core, giving rise to the formation of two-dimensional networks lying parallel to (10-2). Two π-π interactions involving the imidazolium ring with the benzene and phenol rings [centroid-centroid distances = 3.859 (3) and 3.602 (3) Å, respectively], contribute to this second dimension. A strong O - H⋯O hydrogen bond involving the water molecule and the phenol substituent on the benzimidazole unit links the networks, forming a three-dimensional structure.
AB - The title molecular salt, C13H11N2O +·Cl-·H2O, crystallizes as a monohydrate. In the cation, the phenol and benzimidazole rings are almost coplanar, making a dihedral angle of 3.18 (4)°. The chloride anion and benzimidazole cation are linked by two N+ - H⋯Cl- hydrogen bonds, forming chains propagating along [010]. These chains are linked through O - H⋯Cl hydrogen bonds involving the water molecule and the chloride anion, which form a diamond core, giving rise to the formation of two-dimensional networks lying parallel to (10-2). Two π-π interactions involving the imidazolium ring with the benzene and phenol rings [centroid-centroid distances = 3.859 (3) and 3.602 (3) Å, respectively], contribute to this second dimension. A strong O - H⋯O hydrogen bond involving the water molecule and the phenol substituent on the benzimidazole unit links the networks, forming a three-dimensional structure.
UR - http://www.scopus.com/inward/record.url?scp=84883592676&partnerID=8YFLogxK
U2 - 10.1107/S1600536813023441
DO - 10.1107/S1600536813023441
M3 - Artículo
C2 - 24427105
SN - 1600-5368
VL - 69
SP - o1485
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 9
ER -