3,6,9,16,19,22-Hexaazatricyclo[22.2.2.2^11,14]triaconta-11,13,24,26(1),27,29-hexaene pentahydrate

Abstract

In the title macrocyclic polyamine, C(24)H(38)N(6).5H(2)O, the centrosymmetric polyamine molecules are stacked in rows, and between these molecules there are channels along the a axis. The intermolecular hydrogen bonds formed between the water and polyamine, together with those formed between water molecules, generate an extensive hydrogen-bonding network.

Charge-Assisted Encapsulation of Two Chlorides by a Hexaprotonated Azamacrocycle

“…The remaining chlorides are outside the cavity, each with a single hydrogen bond from protonated secondary amines. The macrocyclic unit in the complex is essentially flat rather than a chair conformation observed in the p- xylyl macrocycle19 or in the chloride complex of the larger m -xylyl analogue 8b. In the chloride complex of L , two aromatic units are parallel to each other at a distance of 7.842 Å (centroid-to-centroid), while the distance between the two central nitrogens is 10.338 Å, providing an oval-shaped cavity suitable for two chlorides (Figure 3).…”

3,6,9,16,19,22-Hexaazatricyclo[22.2.2.211,14]triaconta-1(27),11 (30),12,14(29),24(28),25-hexaene hexakis(p-toluenesulfonate) dihydrate

“…1). The shape of the macrocycle is quite different from those observed in the neutral macrocycle (He et al, 2000) or its larger cationic analogue with m-xylyl spacers in the chloride complex (Liu et al, 2008), both of which adopt a chair conformation with two flip-flop aromatic moieties. In the solid state, the hydrogen atoms on the bridgehead amines direct toward the cavity, while those on the remaining nitrogen atoms point outwards from the cavity to minimize the electrostatic repulsion forces.…”

“…For general background, see: Bianchi et al (1997); Chen & Martell (1991); Hossain (2008); Llobet et al (1994); Nagarajan & Ganem (1987); Ragunathan & Schneider (1996). For related structures, see: Bazzicalupi et al (1995); Clifford et al (2001); He et al (2000); Li et al (2009); Liu et al (2008); Lu et al (1995Lu et al ( , 1998; Zhu et al (2002). 446 parameters H-atom parameters constrained Á max = 0.39 e Å À3 Á min = À0.33 e Å À3 Table 1 Hydrogen-bond geometry (Å , ).…”

Molecular recognition. 1. Crystal structures of hexaazamacrocyclic amines containing p-xylylene spacers and their adducts with acids

“…5 ). The supramolecular structure is similar to that of 2 [ 8 ] although in the last one water molecules co-crystallize with the chair-like molecules of 2 .…”