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Zero-obliquity twin lattice quasi-symmetry threefold twinning in 1-{(R)-1-[(3-oxo-2-isoindolinoyl)methyl]-2-propenyl}-5-methyl-2,3-indolinedione.
Acta Crystallographica Section B ( IF 2.684 ) Pub Date : 2020-07-15 , DOI: 10.1107/s2052520620008021
Massimo Nespolo 1 , Rebecca W Smaha 2 , Sean Parkin 3
Affiliation  

Threefold twinning in 1‐{(R)‐1‐[(3‐oxo‐2‐isoindolinoyl)methyl]‐2‐propenyl}‐5‐methyl‐2,3‐indolinedione, C21H16N2O4, has been reported recently [Trost et al. (2020). Org. Lett.22, 2584–2589] but the twin characterization was not published. This twinning presents several interesting features. The crystal structure is monoclinic, but its lattice is metrically strongly pseudo‐orthorhombic and underpins a strongly pseudo‐hexagonal sublattice. Several possible twin laws are compatible with these metric specializations, among which the one found experimentally corresponds to a trichromatic point group. Twinning is by reticular pseudo‐merohedry with twin index 2 and zero obliquity but a non‐zero twin misfit. The twin lattice coincides with the pseudo‐hexagonal sublattice of the individual domain, which justifies the adoption of the unconventional setting B21 of the space group.

中文翻译:

1-{(R)-1-[[(3-氧代-2-异吲哚基)甲基] -2-丙烯基] -5-甲基-2,3-吲哚二酮中的零斜双晶格准对称三重孪生。

在1-{(R)-1-[(3-氧代-2-异吲哚基)甲基] -2-丙烯基} -2-甲基-2-,3-吲哚二酮,C 21 H 16 N 2 O 4中具有三重孪生最近报道[Trost等。(2020)。单位 来吧 22,2584–2589],但未公布孪生子特性。孪生呈现了几个有趣的功能。晶体结构是单斜晶的,但其晶格是度量严格的伪正交晶格,并支撑了强烈的伪六边形亚晶格。几种可能的孪生定律与这些度量专长兼容,其中在实验上发现的定律对应于三色点组。孪生是通过网状假体,孪生指数为2,倾角为零,但非零孪生失配。双晶格与单个域的伪六边形子格重合,这证明采用空间组的非常规设置B 2 1是合理的。
更新日期:2020-07-15
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