Search results for "CRYSTALLOGRAPHY"
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Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate
2018
The asymmetric unit of the title thiazole derivative containing a sulfonylhydrazinic moiety, C9H8ClN3O3S2·H2O, consists of two independent molecules and two water molecules. The central parts of the molecules are twisted as both the molecules are bent at both the S and N atoms. In the crystal, N—H...N, N—H...O, C—H...O and O—H...O hydrogen-bonding interactions connect the molecules, forming layers parallel to the ab plane. Two-dimensional fingerprint plots associated with the Hirshfeld surface show that the largest contributions to the crystal packing come from O...H/H...O (32.9%) and H...H (22.6%) interactions.
Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems
2015
The strength and nature of the S···Br and Br···Br interactions were systematically tuned by altering the electron donor properties of the thione group. Three new halogen-bonded compounds, [(N-methylbenzothiazole-2-thione)Br2]·0.5CH2Cl2 (1), [(2(3H)-benzothiazolethione)Br2] (2), and [(2-benzimidazolethione)Br]·[Br3] (3), were synthesized and studied structurally by using X-ray crystallography and computationally by using charge density analysis based on QTAIM calculations. Analysis of the interaction strength indicated a formation of surprisingly strong S···Br halogen bonds in 1 (−104 kJ mol–1, and RBrS = 0.64) and 2 (−116 kJ mol–1, and RBrS = 0.63) with a substantial covalent contribution. …
Structural distortions in homoleptic (RE)4A (E = O, S, Se; A = C, Si, Ge, Sn): Implications for the CVD of tin sulfides
2001
The structures of Sn(SBut)4 and Sn(SCy)4 have been determined and adopt S4 and D2 conformations respectively; the anion [(PhS)Sn3]−, as its Ph4P+ salt, has a structure approaching Cs symmetry. In all three compounds, there are large variations in the ∠S–Sn–S within the same molecule, which have been rationalised in terms of the C–S–Sn–S–C conformations. For Sn(SR)4, the ∠S–Sn–S increases as the conformations change from trans, trans to trans, gauche and gauche, gauche, as the number of eclipsed lone pairs decreases and this rationale is shown to be applicable to a variety of A(ER)4 (A = C, Si, Ge, Sn; E = O, S, Se) and related [Mo(SR)4, Ga(SR)4−] systems. AM1 calculations have been used to …
Deposition of tin sulfide thin films from tin(iv) thiolate precursors
2001
AACVD (aerosol-assisted chemical vapour deposition) using (PhS)(4)Sn as precursor leads to the deposition of Sn3O4 in the absence of H2S and tin sulfides when H2S is used as co-reactant. At 450 degreesC the film deposited consists of mainly SnS2 while at 500 degreesC SnS is the dominant component. The mechanism of decomposition of (PhS)(4)Sn is discussed and the structure of the precursor presented.
CCDC 169925: Experimental Crystal Structure Determination
2001
Related Article: B.Abouhamza, M.Ait Ali, S.Allaoud, O.Blacque, B.Frange, A.Karim|2001|Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.|57|796|doi:10.1107/S0108270101006187
CCDC 1449803: Experimental Crystal Structure Determination
2017
Related Article: M. Saccone, A. Siiskonen, F. Fernandez-Palacio, A. Priimagi, G. Terraneo, G. Resnati, P. Metrangolo|2017|Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat.|73|227|doi:10.1107/S2052520617003444
CCDC 655685: Experimental Crystal Structure Determination
2008
Related Article: H.V.Ly, H.M.Tuononen, M.Parvez, R.Roesler|2008|Angew.Chem.,Int.Ed.|47|361|doi:10.1002/anie.200703556
CCDC 145029: Experimental Crystal Structure Determination
2001
Related Article: G.Haufe, T.C.Rosen, O.G.J.Meyer, R.Frohlich, K.Rissanen|2002|J.Fluorine Chem.|114|189|doi:10.1016/S0022-1139(02)00040-4
CCDC 781063: Experimental Crystal Structure Determination
2010
Related Article: I.Bergner, C.Wiebe, N.Meyer, T.Opatz|2009|J.Org.Chem.|74|8243|doi:10.1021/jo901759u
CCDC 175409: Experimental Crystal Structure Determination
2003
Related Article: R.F.Winter, S.Hartmann, S.Zalis, K.W.Klinkhammer|2003|Dalton Trans.||2342|doi:10.1039/b211774f