TY - JOUR
T1 - Crystal structure of bis[(phenylmethanamine-ΚN)-(phthalocyaninato-Κ4N)zinc] phenylmethanamine trisolvate
AU - Shamsudin, Norzianah
AU - Tan, Ai Ling
AU - Wimmer, Franz L.
AU - Young, David J.
AU - Tiekink, Edward R.T.
PY - 2015/9/1
Y1 - 2015/9/1
N2 - The asymmetric unit of the title compound, 2[Zn(C32H16N8)(C7H9N)]·3C7H9N, comprises two independent complex molecules and three benzylamine solvent molecules. Each complex molecule features a pentacoordinated Zn2+ ion within a square-pyramidal geometry, whereby the N5 donor set is defined by four atoms of the phthalocyaninate dianion (PC) and an N-bound benzylamine molecule; it is the relative orientations of the latter that differentiate between the independent complex molecules. The uncoordinated benzylamine molecules display different conformations in the structure, with syn-Car-Car-Cm-N (ar = aromatic, m = methylene) torsion angles spanning the range -28.7 (10) to 35.1 (14)°. In the crystal, N-H⋯N and N-H⋯π interactions lead to supramolecular layers in the ab plane. The layers have a zigzag topology, have the coordinating and non-coordinating benzylamine molecules directed to the inside, and present the essentially flat PC resides to the outside. This arrangement enables adjacent layers to associate via π-π interactions [inter-centroid distance between pyrrolyl and fused-benzene rings = 3.593 (2) Å] so that a three-dimensional architecture is formed.
AB - The asymmetric unit of the title compound, 2[Zn(C32H16N8)(C7H9N)]·3C7H9N, comprises two independent complex molecules and three benzylamine solvent molecules. Each complex molecule features a pentacoordinated Zn2+ ion within a square-pyramidal geometry, whereby the N5 donor set is defined by four atoms of the phthalocyaninate dianion (PC) and an N-bound benzylamine molecule; it is the relative orientations of the latter that differentiate between the independent complex molecules. The uncoordinated benzylamine molecules display different conformations in the structure, with syn-Car-Car-Cm-N (ar = aromatic, m = methylene) torsion angles spanning the range -28.7 (10) to 35.1 (14)°. In the crystal, N-H⋯N and N-H⋯π interactions lead to supramolecular layers in the ab plane. The layers have a zigzag topology, have the coordinating and non-coordinating benzylamine molecules directed to the inside, and present the essentially flat PC resides to the outside. This arrangement enables adjacent layers to associate via π-π interactions [inter-centroid distance between pyrrolyl and fused-benzene rings = 3.593 (2) Å] so that a three-dimensional architecture is formed.
KW - Co-crystal
KW - Conformation
KW - Crystal structure
KW - Hydrogen bonding
KW - Zinc phthalocyaninato complex
UR - http://www.scopus.com/inward/record.url?scp=84983156944&partnerID=8YFLogxK
U2 - 10.1107/S2056989015014280
DO - 10.1107/S2056989015014280
M3 - Article
AN - SCOPUS:84983156944
VL - E71
SP - 1026
EP - 1031
JO - Acta Crystallographica Section E: Crystallographic Communications
JF - Acta Crystallographica Section E: Crystallographic Communications
SN - 1600-5368
IS - Part 9
ER -