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Structures of Solids

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Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...

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Aromatic Hydrocarbon Cations: Structural Overview

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Cycloheptatriene is a neutral monocyclic unsaturated hydrocarbon that consists of an odd number of carbon atoms and an intervening sp3 carbon in the ring. The three double bonds in the ring correspond to 6 π electrons, which is a Huckel number, and therefore satisfies the criteria of 4n + 2 π electrons. However, the intervening sp3 carbon disrupts the continuous overlap of p orbitals. As a result, cycloheptatriene is not aromatic.
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Crystallographic Point Groups

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Radicals: Electronic Structure and Geometry

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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

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Trithia-cyanuric acid: a second triclinic polymorph.

Iván Brito, Joselyn Albanez, Michael Bolte

Acta Crystallographica. Section E, Structure Reports Online

|May 19, 2011

Summary

This summary is machine-generated.

This study describes a new triclinic crystal modification of a compound containing nitrogen, carbon, and sulfur. This form exhibits strong intramolecular hydrogen bonds and exists in the thione form in the solid state.

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Area of Science:

Crystallography
Solid-state chemistry
Materials science

Background:

The compound C(3)H(3)N(3)S(3) has a previously reported crystal modification.
Understanding polymorphism is crucial for material properties.

Purpose of the Study:

To characterize a new triclinic crystal modification of C(3)H(3)N(3)S(3).
To compare its structural and intermolecular features with the known polymorph.

Main Methods:

Single-crystal X-ray diffraction was used to determine the crystal structure.
Analysis of hydrogen bonding and intermolecular interactions.

Main Results:

A new triclinic modification with Z'=2 was identified.
Strong intramolecular N-H⋯S hydrogen bonds (R(2)(2)(8)) were observed.
Molecules exist in the thione tautomeric form in the solid state.
No π-π stacking interactions were detected.

Conclusions:

The new triclinic polymorph of C(3)H(3)N(3)S(3) was successfully characterized.
Similar molecular and supramolecular properties were found between the two polymorphs.
The study contributes to the understanding of polymorphism in nitrogen-sulfur compounds.