Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate

The title molecular salt, C17H30NSi+·C2H5O4S−, belongs to the class of a-aminosilanes and was synthesized by the alkylation of 1-[(benzyldimethylsilyl)methyl]piperidine using diethyl sulfate. This achiral salt crystallizes in the chiral space group P21. One of the Si—C bonds in the cation is unusually long [1.9075 (12) Å], which correlates with the adjacent quaternary N+ atom and was verified by quantum chemical calculations. In the crystal, the components are linked by weak C—H...O hydrogen bonds: a Hirshfeld surface analysis was performed to further investigate these intermolecular interactions and their effects on the crystal packing.

Synthesis and crystal structure of (E)-2-benzyl-1,3-diphenylisothiouronium iodide

In the title molecular salt, C20H19N2S+·I−, prepared by the reaction of 1,3-diphenylthiourea and benzyl iodide, the C—S—C thioether bond angle is 101.66 (9)° and electrons are delocalized over the N+= C—N skeleton. The dihedral angle between the aromatic rings attached to the N atoms is 40.60 (9)°. In the crystal, N—H...I hydrogen bonds link the components into [100] chains.

1-[(Methylsulfonyl)oxy]pyridin-1-ium methanesulfonate

The title molecular salt, C6H8NO3S+·CH3O3S−, consists of a cationic sulfonated pyridine N-oxide moiety and a methanesulfonate anion. An N—O bond length of 1.4004 (15) Å is observed in the cation. In the crystal, weak C—H...O interactions link the components into a three-dimensional network.

Square network based upon the molecular salt of the tetraprotonated photoproduct rtct-tetrakis(pyridin-4-yl)cyclobutane and the sulfate anion

The formation and crystal structure of a hydrated molecular salt that results in a square network is reported. The crystalline solid is based upon the tetraprotonated photoproduct rtct-tetrakis(pyridin-4-yl)cyclobutane (4H- rtct -TPCB)4+ along with two sulfate anions (SO4 2−) and eight waters of hydration, namely, 4,4′,4′′,4′′′-(cyclobutane-1,2,3,4-tetrayl)tetrapyridinium bis(sulfate) octahydrate, C24H24N4 4+·2SO4 2−·8H2O. The fully protonated photoproduct acts as a four-connecting node within the square network by engaging in four charge-assisted N+—H...O hydrogen bonds to the sulfate anion. The observed hydrogen-bonding pattern in this square network is akin to T-silica, which is a metastable form of SiO2. The included water molecules and sulfate anions engage in numerous O—H...O hydrogen bonds to form various hydrogen-bonded ring structures.

1,1′-(Ethane-1,2-diyl)bis(4-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}pyridin-1-ium) dibromide ethanol 0.67-solvate

The asymmetric unit of the title solvated molecular salt, 3C32H36Br2N4 2+·6Br−·2C2H5OH, consists of 1.5 cations, three bromide anions and one ethanol solvent molecule of crystallization. The half-cation is completed by crystallographic inversion symmetry. In the crystal, O—H...Br hydrogen bonds and weak C—H...Br interactions link the components.

(S)-Alanine ethyl ester tetracyanidoborate, (C5H12NO)[B(CN)4]

The title molecular salt, C5H12NO+·C4BN4 − or (C5H12NO)[B(CN)4], was obtained as single crystals by slow evaporation of a solution of the compound in acetonitrile over several weeks. The asymmetric unit contains two (S)-alanine ethyl ester cations and two tetracyanidoborate anions, which are linked by N—H...N hydrogen bonds. The compound exhibits a relatively low melting point of 110°C and shows a solid–solid phase transition near room temperature (T s–s = 29°C) on the basis of DSC measurements.

Crystal structure and Hirshfeld surface analysis of trans-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(II)

In the title molecular salt, (C6H16N2)[CoCl4], the complete dication is generated by crystallographic inversion symmetry and the piperazine ring adopts a chair conformation with the pendant methyl groups in equatorial orientations. The complete dianion is generated by crystallographic twofold symmetry. In the crystal, the (C6H16N2)2+ and [CoCl4]2− ions are linked by N—H...Cl and C—H...Cl hydrogen bonds, thereby forming a two-dimensional supramolecular network. The Hirshfeld surface analysis and fingerprint plots reveal that the largest contributions to the crystal stability come from H...Cl/Cl...H (68.4%) and H...H (27.4%) contacts.