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(Z)-N-(4-氟苯基)-2-氧代丙烷肼甲酰氯的伴生色多晶型物

Concomitant colour polymorphs of (Z)-N-(4-fluorophenyl)-2-oxopropanehydrazonoyl chloride.

作者信息

Müller Lisa, Goddard Richard, Frohberg Petra, Seidel Rüdiger W

机构信息

Institut für Pharmazie, Martin-Luther-Universität Halle-Wittenberg, Wolfgang-Langenbeck-Strasse 4, 06120 Halle (Saale), Germany.

Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany.

出版信息

Acta Crystallogr C Struct Chem. 2025 Aug 1;81(Pt 8):481-487. doi: 10.1107/S2053229625006618. Epub 2025 Jul 30.

DOI:10.1107/S2053229625006618
PMID:40736263
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12322930/
Abstract

The title compound, (Z)-N-(fluorophenyl)-2-oxopropanehydrazonoyl chloride, CHClFNO, was found to form concomitant colour polymorphs upon recrystallization from acetone. Block-shaped pale-orange crystals of form I (space group P2/n, No. 14) and prism-shaped yellow crystals of form II (space group P2/c, No. 14) both belong to the monoclinic crystal system. N-H...O hydrogen bonds resulting in zigzag chains [graph-set descriptor C(6)] are the dominating intermolecular interactions in both crystal forms. The hydrogen-bonded zigzag chains so formed extend by 2 screw symmetry in form I and by c-glide symmetry in form II, and are arranged in layers, which are more corrugated in form II than in form I. The polymorphs are virtually indistinguishable by their calculated densities, packing indices and melting points. Form I sublimes to yield crystals of form II, whereas form II sublimes to afford crystals of the same polymorph with characteristic crystal morphology.

摘要

标题化合物(Z)-N-(氟苯基)-2-氧代丙烷肼甲酰氯(CHClFNO)从丙酮中重结晶时会同时形成颜色多晶型物。晶型I的块状浅橙色晶体（空间群P2/n，编号14）和晶型II的棱柱状黄色晶体（空间群P2/c，编号14）均属于单斜晶系。导致锯齿链[图形集描述符C(6)]的N-H...O氢键是两种晶型中主要的分子间相互作用。如此形成的氢键锯齿链在晶型I中通过2螺旋对称性延伸，在晶型II中通过c滑移对称性延伸，并排列成层，晶型II中的层比晶型I中的层更具波纹。这些多晶型物的计算密度、堆积指数和熔点几乎无法区分。晶型I升华生成晶型II的晶体，而晶型II升华得到具有特征晶体形态的相同多晶型物的晶体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9930/12322930/7e2da5d51898/c-81-00481-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9930/12322930/38423b6bbd7d/c-81-00481-fig1.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9930/12322930/18f606e68eb0/c-81-00481-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9930/12322930/68df7211a540/c-81-00481-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9930/12322930/9ec6727a7183/c-81-00481-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9930/12322930/7e2da5d51898/c-81-00481-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9930/12322930/38423b6bbd7d/c-81-00481-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9930/12322930/95fffb1486d1/c-81-00481-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9930/12322930/efa16683c8fe/c-81-00481-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9930/12322930/18f606e68eb0/c-81-00481-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9930/12322930/68df7211a540/c-81-00481-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9930/12322930/9ec6727a7183/c-81-00481-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9930/12322930/7e2da5d51898/c-81-00481-fig7.jpg

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