Conformational analysis of two new organotin(IV) structures completed with a CSD survey
The conformational flexibilities are studied in two new organotin(IV) complexes, namely, trans-dichloridodimethylbis[N,N ′ ,N ′ ′ -tris(2-chlorobenzyl)phosphoric triamide]tin(IV), [Sn(CH3)2(C21H21Cl3N3OP)2Cl2] or Sn(CH3)2Cl2{OP[NHCH2C6H4(2-Cl)]3}2, (I), and bis(dipropylammonium) tetrachloridodimethylstannate(IV), [(CH3CH2CH2)2NH2]2[Sn(CH3)2Cl4], (II), and their analogous structures from the Cambridge Structural Database (CSD). The conformations are considered based on the N — P=O — Sn torsion angles for (I) and the C — C — C — N, C — C — N — C, C — N — C — C and N — C — C — C torsion angle...
Source: Acta Crystallographica Section C - January 8, 2021 Category: Chemistry Authors: Sabbaghi, F. As'habi, A. Saneei, A. Pourayoubi, M. Abdul Salam, A.A. Ne č as, M. Du š ek, M. Ku č er á kov á , M. Acharya, S. Tags: organotin(IV) complex phosphoric triamide crystal structure Cambridge Structural Database conformational analysis Hirshfeld surface analysis research papers Source Type: research
Synthesis, structure and photophysical properties of two tetranuclear copper(I) iodide complexes based on acetylpyridine and diphosphine mixed ligands
Two copper(I) iodide tetramers, namely, [ μ 2-1,3-bis(diphenylphosphanyl)propane- κ 2P:P ′ ]di- μ 3-iodido-di- μ 2-iodido-[1-(pyridin-3-yl)ethan-1-one- κ N]tetracopper(I) dichloromethane disolvate, [Cu4I4(C6H7NO)2(C27H26P2)2] · 2CH2Cl2 (CuL3), and [ μ 2-1,3-bis(diphenylphosphanyl)propane- κ 2P:P ′ ]di- μ 3-iodido-di- μ 2-iodido-[1-(pyridin-4-yl)ethan-1-one- κ N]tetracopper(I), [Cu4I4(C6H7NO)2(C27H26P2)2] (CuL4), have been synthesized from reactions of CuI, 1,3-bis(diphenylphosphanyl)propane (dppp) and 3- or 4-acetylpyridine (3/4-acepy). The complexes were characterized by elemental analysis, IR spectroscopy,...
Source: Acta Crystallographica Section C - January 6, 2021 Category: Chemistry Authors: Cao, B.-J. Li, R. Huang, X.-H. Tags: copper(I) iodide tetramer cluster crystal structure photoluminescence thermally activated delayed fluorescence TADF acetylpyridine bis(diphenyphosphanyl)propane research papers Source Type: research
Two-step crystal – crystal phase transformation of N-salicylidene-p-aminobenzoic acid by gas – solid reaction with aqua – ammonia vapour
This article is the first report to capture the stepwise structural change in the gas – solid (acid – base) reaction of ammonia with benzoic acid derivatives. (Source: Acta Crystallographica Section C)
Source: Acta Crystallographica Section C - December 23, 2020 Category: Chemistry Authors: Sugiyama, H. Uekusa, H. Tags: gas – solid reaction photochromism switching material soft crystal crystal structure phase transformation research papers Source Type: research
Trithiocyanuric acid: novel cocrystals and analysis of its tautomeric forms
Cocrystals of trithiocyanuric acid with 2,2 ′ -bipyridyl [1,3,5-triazinane-2,4,6-trithione – 2,2 ′ -bipyridine (2/1), 2C3H3N3S3 · C10H8N2, (I)] and 4-methylbenzohydrazide [1,3,5-triazinane-2,4,6-trithione – 4-methylbenzohydrazide (1/1), C8H10N2O · C3H3N3S3, (II)] crystallize in the monoclinic crystal system. In the crystals, molecules of both components are linked by hydrogen bonds. The trithiocyanuric acid molecules are connected by N — H...S hydrogen bonds forming R22(8) synthons, which are further organized into chain motifs. Computations based on quantum chemistry methods have been performed for a more deta...
Source: Acta Crystallographica Section C - December 21, 2020 Category: Chemistry Authors: Wzgarda-Raj, K. Rybarczyk-Pirek, A.J. Wojtulewski, S. Palusiak, M. Tags: trithiocyanuric acid cocrystal hydrogen bonding crystal structure supramolecular chemistry quantum chemistry tautomerism research papers Source Type: research
Polymorphism of methyl 4-amino-3-phenylisothiazole-5-carboxylate: an experimental and theoretical study
Being a close analogue of amflutizole, methyl 4-amino-3-phenylisothiazole-5-carboxylate (C11H10N2O2S) was assumed to be capable of forming polymorphic structures. Noncentrosymmetric and centrosymmetric polymorphs have been obtained by crystallization from a series of more volatile solvents and from denser tetrachloromethane, respectively. Identical conformations of the molecule are found in both structures. The two polymorphs differ mainly in the intermolecular interactions formed by the amino group and in the type of stacking interactions between the π -systems. The most effective method for revealing packing motifs in s...
Source: Acta Crystallographica Section C - December 21, 2020 Category: Chemistry Authors: Shishkina, S.V. Konovalova, I.S. Kovalenko, S.M. Kravchenko, D.V. Bunyatyan, N.D. Tags: polymorphism ester isothiazole crystal structure pairwise interaction energies periodic calculations amflutizole analogue quantum chemical calculations research papers Source Type: research
