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由1-(3,4-二甲氧基苄基)-6,7-二甲氧基异喹啉和富马酸组成的两种不同多组分晶体的晶体结构。

Crystal structures of two different multi-component crystals consisting of 1-(3,4-di-meth-oxy-benz-yl)-6,7-di-meth-oxy-iso-quinoline and fumaric acid.

作者信息

Shibata Hiroki, Sakon Aya, Takata Noriyuki, Takiyama Hiroshi

机构信息

Pharmaceutical Technology Division, Analytical Development Department, Chugai Pharmaceutical Co. Ltd., 5-5-1 Ukima, Kita-ku, Tokyo 115-8543, Japan.

Department of Applied Physics and Chemical Engineering Tokyo University of Agriculture and Technology 2-24-16 Naka-cho Koganei Tokyo 184-8588 Japan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Oct 11;80(Pt 11):1146-1150. doi: 10.1107/S2056989024009794. eCollection 2024 Oct 1.

Abstract

Two different multi-component crystals consisting of papaverine [1-(3,4-di-meth-oxy-benz-yl)-6,7-di-meth-oxy-iso-quinoline, CHNO] and fumaric acid [CHO] were obtained. Single-crystal X-ray structure analysis revealed that one, CHNO·1.5CHO (I), is a salt co-crystal composed of salt-forming and non-salt-forming mol-ecules, and the other, CHNO·0.5CHO (II), is a salt-co-crystal inter-mediate (, in an inter-mediate state between a salt and a co-crystal). In this study, one state (crystal structure at 100 K) within the salt-co-crystal continuum is defined as the 'inter-mediate'.

摘要

获得了两种由罂粟碱[1-(3,4-二甲氧基苄基)-6,7-二甲氧基异喹啉,C₂₀H₂₁NO₄]和富马酸[C₄H₄O₄]组成的不同多组分晶体。单晶X射线结构分析表明,一种,C₂₀H₂₁NO₄·1.5C₄H₄O₄ (I),是由成盐和非成盐分子组成的盐共晶体,另一种,C₂₀H₂₁NO₄·0.5C₄H₄O₄ (II),是一种盐共晶体中间体(,处于盐和共晶体之间的中间状态)。在本研究中,盐共晶体连续统中的一种状态(100 K时的晶体结构)被定义为“中间体”。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cc5e/11660478/52e594acd851/e-80-01146-fig1.jpg

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