Supramolecular Synthon Frustration Leads to Crystal Structures with <i>Z</i>′ > 1

A systematic study into frustration in compounds participating in more than one supramolecular synthon or simultaneously belonging to other categories such as hydrates, co-crystals or crystallizing in a chiral space groups has been undertaken using the Cambridge Structural Database (CSD). The study shows that the combination of more than one directional synthon or the combination of directional synthons with other particular categories of molecule results in markedly increased percentages of structures with Z′ > 1. The majority of combinations show percentages higher than the CSD average of 8.8% and some cases have Z′ > 1 percentages in excess of 60% such as the combination of a carboxylic acid dimer and a molecule in a chiral space group (64.7%). Individual cases have been highlighted and outliers have been discussed and resolved

A Simple Strategy for Crystal Engineering Water Clusters

We report the X-ray crystal structure of the protonated phenazine-2,3-diamine cation (3) salt (3)2SeO4·6H2O (4), which contains a discrete water decamer. This material is representative of a broad strategy to bring about the occurrence of solid-state water clusters in ionic structures by the combination of amphiphilic ions with large hydrophobic residues in combination with small, highly charged counterions. The strategy is illustrated by a wide range of examples taken from the Cambridge Structural Database (CSD)

A Simple Strategy for Crystal Engineering Water Clusters

We report the X-ray crystal structure of the protonated phenazine-2,3-diamine cation (3) salt (3)2SeO4·6H2O (4), which contains a discrete water decamer. This material is representative of a broad strategy to bring about the occurrence of solid-state water clusters in ionic structures by the combination of amphiphilic ions with large hydrophobic residues in combination with small, highly charged counterions. The strategy is illustrated by a wide range of examples taken from the Cambridge Structural Database (CSD)

Crystal Packing in Equilibrating Systems: A Single Crystal Containing Three Isomers of CuCl(1-pyridin-2-yl-3-<i>p</i>-tolyl-thiourea)₂

The X-ray crystal structure of the labile copper(I) complex CuCl(1-pyridin-2-yl-3-p-tolyl-thiourea)2 comprises three different isomers and has profound implications for work on the understanding and prediction of low-symmetry crystal packing. A chloroform co-crystal of one of these isomers is also reported along with a related compound of (6-methyl-benzothiazol-2-yl)-pyridin-2-yl-amine

Crystal Packing in Equilibrating Systems: A Single Crystal Containing Three Isomers of CuCl(1-pyridin-2-yl-3-<i>p</i>-tolyl-thiourea)₂

The X-ray crystal structure of the labile copper(I) complex CuCl(1-pyridin-2-yl-3-p-tolyl-thiourea)2 comprises three different isomers and has profound implications for work on the understanding and prediction of low-symmetry crystal packing. A chloroform co-crystal of one of these isomers is also reported along with a related compound of (6-methyl-benzothiazol-2-yl)-pyridin-2-yl-amine

Crystal Packing in Equilibrating Systems: A Single Crystal Containing Three Isomers of CuCl(1-pyridin-2-yl-3-<i>p</i>-tolyl-thiourea)₂

The X-ray crystal structure of the labile copper(I) complex CuCl(1-pyridin-2-yl-3-p-tolyl-thiourea)2 comprises three different isomers and has profound implications for work on the understanding and prediction of low-symmetry crystal packing. A chloroform co-crystal of one of these isomers is also reported along with a related compound of (6-methyl-benzothiazol-2-yl)-pyridin-2-yl-amine

Helical or Polar Guest-Dependent <i>Z</i>‘ = 1.5 or <i>Z</i>‘ = 2 Forms of a Sterically Hindered Bis(urea) Clathrate

A sterically hindered bis(pyridylurea) species forms clathrates with water, methanol, and ethanol, all exhibiting unusual polar structures with Z‘ > 1. This crystal packing is due to the hindered geometry about the urea oxygen acceptor atoms

Crystal Packing in Equilibrating Systems: A Single Crystal Containing Three Isomers of CuCl(1-pyridin-2-yl-3-<i>p</i>-tolyl-thiourea)₂

The X-ray crystal structure of the labile copper(I) complex CuCl(1-pyridin-2-yl-3-p-tolyl-thiourea)2 comprises three different isomers and has profound implications for work on the understanding and prediction of low-symmetry crystal packing. A chloroform co-crystal of one of these isomers is also reported along with a related compound of (6-methyl-benzothiazol-2-yl)-pyridin-2-yl-amine

Helical or Polar Guest-Dependent <i>Z</i>‘ = 1.5 or <i>Z</i>‘ = 2 Forms of a Sterically Hindered Bis(urea) Clathrate

A sterically hindered bis(pyridylurea) species forms clathrates with water, methanol, and ethanol, all exhibiting unusual polar structures with Z‘ > 1. This crystal packing is due to the hindered geometry about the urea oxygen acceptor atoms

Helical or Polar Guest-Dependent <i>Z</i>‘ = 1.5 or <i>Z</i>‘ = 2 Forms of a Sterically Hindered Bis(urea) Clathrate

A sterically hindered bis(pyridylurea) species forms clathrates with water, methanol, and ethanol, all exhibiting unusual polar structures with Z‘ > 1. This crystal packing is due to the hindered geometry about the urea oxygen acceptor atoms