Lumpi Daniel, Kautny Paul, Stöger Berthold, Fröhlich Johannes
Institute of Applied Synthetic Chemistry, TU Wien, Vienna, Austria.
Institute of Chemical Technologies and Analytics, TU Wien, Vienna, Austria.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Oct 1;72(Pt 5):753-762. doi: 10.1107/S2052520616010969. Epub 2016 Sep 29.
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 P222 with Z' = 1. (1-TIPS) exists as two polymorphs, both crystallizing in P\overline 1 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) (P\overline1, Z' = 2) is an OD twin, where the OD description is unambiguously in M = 1 kinds of layers.
研究了三甲基硅基封端的(3Z)-4-(甲硫基)-3-戊烯-1-炔(1-TMS)以及三异丙基硅基和叔丁基二甲基硅基类似物(1-TIPS)和(1-TBDMS)的结晶行为。(1-TMS)在 Sohncke 空间群 P222 中结晶，Z' = 1。(1-TIPS)以两种多晶型物形式存在，二者均在 P\overline 1 中结晶，Z' = 2 个独立分子。多晶型物(I)是有序-无序(OD)孪晶。对于 M = 1 或 M = 2 种 OD 层有两种不同程度理想化的解释。多晶型物(II)是完全有序的(非孪晶)。其结构可通过反转每隔一个分子的取向从多晶型物(I)推导得出。(1-TBDMS)(P\overline1, Z' = 2)是一个 OD 孪晶，其中 OD 描述明确为 M = 1 种层。
