Di-tert-butyldiisothiocyanatotin(IV)

The title compound, [Sn(C4H9)2(NCS)2], which crystallizes with one and a half molecules in the asymmetric unit, represents a new structure type for intermolecular sulfur...tin interactions, which is characterized by an antiparallel (A) arrangement of the dipole moments of the individual molecules. I...

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Main Authors: Anne Kamrowski, Hans Reuter
Format: Article
Language:English
Published: International Union of Crystallography 2025-01-01
Series:IUCrData
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Online Access:https://journals.iucr.org/paper?S2414314624012446
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author Anne Kamrowski
Hans Reuter
author_facet Anne Kamrowski
Hans Reuter
author_sort Anne Kamrowski
collection DOAJ
description The title compound, [Sn(C4H9)2(NCS)2], which crystallizes with one and a half molecules in the asymmetric unit, represents a new structure type for intermolecular sulfur...tin interactions, which is characterized by an antiparallel (A) arrangement of the dipole moments of the individual molecules. In the resulting zigzag chains, the molecules are related to each other by mirror planes (m) and twofold rotation axes (2), both perpendicular to the propagation plane, while translation is realized via a glide plane in direction of the crystallographic c axis, a combination of symmetry elements unique in the structural chemistry of diorganotin(IV) dihalides and pseudohalides, R2SnX2 with X = Hal or NCS. Its characteristics are subsumed in the term Am2c for this kind of intermolecular association pattern. The tilting of the NSnN-planes in relation to the propagation plane is described in terms of spherical coordinates.
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institution Kabale University
issn 2414-3146
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publisher International Union of Crystallography
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spelling doaj-art-3568ae0761834be69b1409ebad9250172025-02-06T07:26:56ZengInternational Union of CrystallographyIUCrData2414-31462025-01-01101x24124410.1107/S2414314624012446hb4502Di-tert-butyldiisothiocyanatotin(IV)Anne Kamrowski0Hans Reuter1Chemistry, Osnabrück University, Barabarstr. 7, 49069 Osnabrück, GermanyChemistry, Osnabrück University, Barabarstr. 7, 49069 Osnabrück, GermanyThe title compound, [Sn(C4H9)2(NCS)2], which crystallizes with one and a half molecules in the asymmetric unit, represents a new structure type for intermolecular sulfur...tin interactions, which is characterized by an antiparallel (A) arrangement of the dipole moments of the individual molecules. In the resulting zigzag chains, the molecules are related to each other by mirror planes (m) and twofold rotation axes (2), both perpendicular to the propagation plane, while translation is realized via a glide plane in direction of the crystallographic c axis, a combination of symmetry elements unique in the structural chemistry of diorganotin(IV) dihalides and pseudohalides, R2SnX2 with X = Hal or NCS. Its characteristics are subsumed in the term Am2c for this kind of intermolecular association pattern. The tilting of the NSnN-planes in relation to the propagation plane is described in terms of spherical coordinates.https://journals.iucr.org/paper?S2414314624012446crystal structureisothiocyanateintermolecular interactionsspherical coordinatestitling
spellingShingle Anne Kamrowski
Hans Reuter
Di-tert-butyldiisothiocyanatotin(IV)
IUCrData
crystal structure
isothiocyanate
intermolecular interactions
spherical coordinates
titling
title Di-tert-butyldiisothiocyanatotin(IV)
title_full Di-tert-butyldiisothiocyanatotin(IV)
title_fullStr Di-tert-butyldiisothiocyanatotin(IV)
title_full_unstemmed Di-tert-butyldiisothiocyanatotin(IV)
title_short Di-tert-butyldiisothiocyanatotin(IV)
title_sort di tert butyldiisothiocyanatotin iv
topic crystal structure
isothiocyanate
intermolecular interactions
spherical coordinates
titling
url https://journals.iucr.org/paper?S2414314624012446
work_keys_str_mv AT annekamrowski ditertbutyldiisothiocyanatotiniv
AT hansreuter ditertbutyldiisothiocyanatotiniv