A new hybrid compound based on mercury and 3,3′-diaminobiphenylsulfone studied by a combined experimental and theoretical approach

Molecular-Level Investigation of Hydrate–Anhydrous Phase Transformations of the Dapsone Structurally Related Compound 3,3′-Diaminophenyl Sulfone

“…The overall shape adopted by the 3APS molecule in the hemihydrate species well compares with that observed in the anhydrous crystal forms: in all cases, the two −NH 2 groups are trans disposed with respect to the molecular backbone (Figure 1 right). Interestingly, this conformation is the only one observed in structures, deposited in the CSD, containing neutral 3APS molecules, 15,16,18,20 while in structures containing protonated 3APS molecules, [13][14][15]19,21 only the cis disposition has been found. The angle (α) formed by the mean planes defined by the nonhydrogen atoms of the aromatic moieties in all four investigated 3APS solid forms is comparable to (see Table S2) and in agreement with the structural data deposited in the CSD for the fragment SO 2 (C 6 H 2 R 1 R 2 R 3 ) 2 (only organic, 3D coordinates determined; no ortho substituents, acyclic sulfur).…”

“…The overall shape adopted by the 3APS molecule in the hemihydrate species well compares with that observed in the anhydrous crystal forms: in all cases, the two −NH 2 groups are trans disposed with respect to the molecular backbone (Figure right). Interestingly, this conformation is the only one observed in structures, deposited in the CSD, containing neutral 3APS molecules, ,,, while in structures containing protonated 3APS molecules, − ,, only the cis disposition has been found.…”

“…18 3APS crystallizes in the space group P2 1 /c, with one independent molecule in the asymmetric unit (3APS_Am, hereafter). A search in the Cambridge Structural Database (CSD) also shows other forms containing neutral or protonated 3APS molecules: two anhydrous salt-cocrystals (RAFDUZ 14 and VEWFEK 15 ), a true salt (IYIVIY), 19 a true solvate (RIZDEK), 20 and two hybrid organic−inorganic compounds (SUWVOY 21 and TEGGUK 13 ).…”

Crystal structure, spectroscopic measurement, optical properties, thermal studies and biological activities of a new hybrid material containing iodide anions of bismuth(iii)

“…Frequencies for the lattice modes occur near 82 cm À1 . 64 The IR spectrum of this compound shows the characteristic signals of the 4,4 0 (DDS) cation and conrms its presence in the crystal. The assignment of internal modes of the organic cations is based on the comparison of the wavenumbers of others compound associated to the literature data.…”

Crystal structure, Hirshfeld surface analysis, conduction mechanism and electrical modulus study of the new organic–inorganic compound [C8H10NO]2HgBr4

“…These lengths fall within those reported in other compounds containing HgBr 4 tetrahedron. [23][24][25] The average values of the Baur distortion indices can be calculated using eqn (2) and (3): 26 IDðHg À BrÞ ¼ 3) Å, which is signicantly longer than in the non-protonated molecule (1.335(3) Å). 30 This result can be explained by the nitrogen site protonation.…”