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From space group to space groupoid: the partial symmetry of low-temperature E-vanillyl oxime.

作者信息

Ehrmann Katharina, Baudis Stefan, Stöger Berthold

机构信息

Institute of Applied Synthetic Chemistry, TU Wien, Getreidemarkt 9, 1060 Vienna, Austria.

X-ray Centre, TU Wien, 1060 Vienna, Austria.

出版信息

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2019 Aug 1;75(Pt 4):733-741. doi: 10.1107/S2052520619008461. Epub 2019 Jul 23.

DOI:10.1107/S2052520619008461
PMID:32830729
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6690132/
Abstract

The phase transition of E-vanillyl oxime {1-[(E)-(hydroxyimino)methyl]-4-hydroxy-3-methoxybenzene, CHNO} has been analysed by single-crystal and powder X-ray diffraction. The high-temperature (HT) phase (P2/a, Z' = 1) transforms into the low-temperature (LT) phase (threefold superstructure, P\overline{1}, Z' = 6) at ca 190 K. The point operations lost on cooling, {m, 2}, are retained as twin operations and constitute the twin law. The screw rotations and glide reflections are retained in the LT phase as partial operations acting on a subset of Euclidean space {\bb E}^3. The full symmetry of the LT phase, including partial operations, is described by a disconnected space groupoid which is built of three connected components.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/6b44f45cc285/b-75-00733-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/6b61370a8cba/b-75-00733-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/515899ba6f73/b-75-00733-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/33b19376bb87/b-75-00733-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/9b26f0803a54/b-75-00733-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/c47b6d2d5581/b-75-00733-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/1eae0d9a8455/b-75-00733-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/8c66bf72f108/b-75-00733-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/89207230bda5/b-75-00733-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/6b44f45cc285/b-75-00733-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/6b61370a8cba/b-75-00733-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/515899ba6f73/b-75-00733-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/33b19376bb87/b-75-00733-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/9b26f0803a54/b-75-00733-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/c47b6d2d5581/b-75-00733-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/1eae0d9a8455/b-75-00733-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/8c66bf72f108/b-75-00733-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/89207230bda5/b-75-00733-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84b9/6690132/6b44f45cc285/b-75-00733-fig9.jpg

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本文引用的文献

1
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Acta Crystallogr A Found Adv. 2016 Sep 1;72(Pt 5):523-38. doi: 10.1107/S2053273316009293. Epub 2016 Jul 15.