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- Title
Crystal chemistry of trialkylsilyl-capped (3Z)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order-disorder descriptions.
- Authors
Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes
- Abstract
The crystallization behavior of trimethylsilyl-capped (3Z)-4-(methylthio)-3-penten-1-yne (1-TMS) and the triisopropylsilyl and tert-butyldimethylsilyl analogues (1-TIPS) and (1-TBDMS) was investigated. (1-TMS) crystallizes in the Sohncke space group P212121 with Z' = 1. (1-TIPS) exists as two polymorphs, both crystallizing in P̄1 with Z' = 2 independent molecules. Polymorph (I) is an order-disorder (OD) twin. Two interpretations in terms of M = 1 or M = 2 kinds of OD layers are possible, with different degrees of idealization. Polymorph (II) is fully ordered (non-twinned). Its structure can be derived from polymorph (I) by inverting the orientation of every second molecule. (1-TBDMS) (P̄1, Z' = 2) is an OD twin, where the OD description is unambiguously in M = 1 kinds of layers.
- Subjects
CRYSTAL structure; POLYMORPHISM (Crystallography); ORDER-disorder models
- Publication
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2016, Vol 72, Issue 5, p753
- ISSN
2052-5192
- Publication type
Article
- DOI
10.1107/S2052520616010969