• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

紫外发光防伪油墨Orlyum White 520T的多态性

The Polymorphism of Orlyum White 520T, an Ultraviolet Luminescent Security Ink.

作者信息

Madarász János, May Nóra V, Bombicz Petra, Pokol György, Kocsis Richárd, Hegymegi-Barakonyi Bálint, Gizur Tibor

机构信息

Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, Műegyetem rkp. 3, HU-1111 Budapest, Hungary.

Centre for Structural Science, HUN-REN Research Centre for Natural Sciences, Magyar Tudósok Körútja 2, HU-1117 Budapest, Hungary.

出版信息

Molecules. 2025 Apr 8;30(8):1671. doi: 10.3390/molecules30081671.

DOI:10.3390/molecules30081671
PMID:40333536
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12029532/
Abstract

The polymorphism of the ultraviolet luminescent security ink Orlyum White 520T (-(2-(4-oxo-4-benzo[d][3,1]-oxazin-2-yl)phenyl)naphthalene-2-sulfonamide) is revealed, obtaining two new polymorphic forms with enhanced stability. Beyond the known form (lit. mp. 184.8-185.2 °C, Form III, YOCTAO), we succeeded in gaining two new polymorphic forms, Form II and Form I, with higher melting points of 195-196 and 197-198 °C, respectively. Their elemental composition, H and C NMR spectra have been found to be identical, while their powder XRD patterns and FT-IR spectra are significantly different. Based on the single-crystal structure determination of Form II and redetermination of Form III, we uncover the similarities and differences in their packing arrangement and in their secondary interaction systems, all of which affect the molecular conformations in their crystals. In order to explain their significantly distinguishable melting points, Hirshfeld surface analysis and lattice energy calculations have also been carried out. We have made efforts toward revealing the reproducible conditions under which certain polymorphs are formed. It seems that the solvents or other probable organic contaminations are more likely responsible for the formation, nucleation and growth of crystals of various polymorphic forms, traced by thermogravimetric evolved gas analysis (TG/DTA-EGA-MS).

摘要

揭示了紫外发光安全油墨Orlyum White 520T（-(2-(4-氧代-4-苯并[d][3,1]恶嗪-2-基)苯基)萘-2-磺酰胺）的多晶型现象，获得了两种稳定性增强的新多晶型形式。除了已知形式（文献报道熔点为184.8 - 185.2°C，晶型III，YOCTAO）外，我们成功获得了两种新的多晶型形式，晶型II和晶型I，其熔点分别更高，为195 - 196°C和197 - 198°C。发现它们的元素组成、氢谱和碳谱相同，而它们的粉末X射线衍射图谱和傅里叶变换红外光谱有显著差异。基于晶型II的单晶结构测定和晶型III的重新测定，我们揭示了它们堆积排列和二级相互作用体系中的异同，所有这些都影响了它们晶体中的分子构象。为了解释它们显著不同的熔点，还进行了 Hirshfeld表面分析和晶格能计算。我们努力揭示形成某些多晶型的可重现条件。通过热重-逸出气体分析（TG/DTA - EGA - MS）追踪发现，似乎溶剂或其他可能的有机污染物更有可能导致各种多晶型晶体的形成、成核和生长。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/d764fab68c8a/molecules-30-01671-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/58a6d13ba2e1/molecules-30-01671-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/bd931b1c247c/molecules-30-01671-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/30f7672795e5/molecules-30-01671-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/6ba7385ea14c/molecules-30-01671-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/64d33444d2b4/molecules-30-01671-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/21227e4acd11/molecules-30-01671-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/e72a507180b7/molecules-30-01671-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/611e0576e323/molecules-30-01671-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/d764fab68c8a/molecules-30-01671-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/58a6d13ba2e1/molecules-30-01671-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/bd931b1c247c/molecules-30-01671-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/30f7672795e5/molecules-30-01671-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/6ba7385ea14c/molecules-30-01671-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/64d33444d2b4/molecules-30-01671-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/21227e4acd11/molecules-30-01671-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/e72a507180b7/molecules-30-01671-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/611e0576e323/molecules-30-01671-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64f9/12029532/d764fab68c8a/molecules-30-01671-g008.jpg

相似文献

1
The Polymorphism of Orlyum White 520T, an Ultraviolet Luminescent Security Ink.紫外发光防伪油墨Orlyum White 520T的多态性
Molecules. 2025 Apr 8;30(8):1671. doi: 10.3390/molecules30081671.
2
Solution growth and thermal treatment of crystals lead to two new forms of 2-((2,6-dimethylphenyl)amino)benzoic acid.晶体的溶液生长和热处理产生了两种新形式的2-((2,6-二甲基苯基)氨基)苯甲酸。
RSC Adv. 2018 Apr 24;8(28):15459-15470. doi: 10.1039/c7ra13353g. eCollection 2018 Apr 23.
3
Quantitative determination of two polymorphic forms of imatinib mesylate in a drug substance and tablet formulation by X-ray powder diffraction, differential scanning calorimetry and attenuated total reflectance Fourier transform infrared spectroscopy.采用X射线粉末衍射、差示扫描量热法和衰减全反射傅里叶变换红外光谱法对原料药和片剂制剂中甲磺酸伊马替尼的两种多晶型进行定量测定。
J Pharm Biomed Anal. 2015 Oct 10;114:330-40. doi: 10.1016/j.jpba.2015.06.011. Epub 2015 Jun 12.
4
Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.辛伐他汀的多态性：孪晶、无序和对映体相变。
Mol Pharm. 2018 Nov 5;15(11):5349-5360. doi: 10.1021/acs.molpharmaceut.8b00818. Epub 2018 Oct 4.
5
New polymorphs of an old drug: conformational and synthon polymorphism of 5-nitrofurazone.一种老药的新多晶型物：5-硝基糠腙的构象和合成子多晶型现象
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Apr;72(Pt 2):263-73. doi: 10.1107/S2052520615024956. Epub 2016 Apr 1.
6
Vibrational spectra, powder X-ray diffractions and physical properties of cyanide complexes with 1-ethylimidazole.含1-乙基咪唑的氰化物配合物的振动光谱、粉末X射线衍射及物理性质
Spectrochim Acta A Mol Biomol Spectrosc. 2015 Oct 5;149:8-16. doi: 10.1016/j.saa.2015.04.019. Epub 2015 Apr 17.
7
Solid state characterization of dehydroepiandrosterone.脱氢表雄酮的固态表征
J Pharm Sci. 1995 Oct;84(10):1169-79. doi: 10.1002/jps.2600841007.
8
Synthesis, crystal growth, structural, thermal and optical properties of naphthalene picrate an organic NLO material.苦味酸萘，一种有机非线性光学材料的合成、晶体生长、结构、热学及光学性质
Spectrochim Acta A Mol Biomol Spectrosc. 2008 Dec 1;71(3):755-9. doi: 10.1016/j.saa.2008.01.036. Epub 2008 Feb 14.
9
Exploring a solvated dimer of Gefitinib: a quantitative analysis.探索吉非替尼的溶剂化二聚体：定量分析
Acta Crystallogr C Struct Chem. 2018 Aug 1;74(Pt 8):944-950. doi: 10.1107/S2053229618009671. Epub 2018 Jul 19.
10
Characterization of polymorphic ampicillin forms.多晶型氨苄西林形式的表征
J Pharm Biomed Anal. 2014 Nov;100:329-340. doi: 10.1016/j.jpba.2014.08.021. Epub 2014 Aug 26.

本文引用的文献

1
Oriented Crystallization on Organic Monolayers to Control Concomitant Polymorphism.有机单分子层上的取向结晶控制伴随多晶型现象。
Chemistry. 2020 Jan 13;26(3):699-710. doi: 10.1002/chem.201903938. Epub 2019 Dec 27.
2
The Cambridge Structural Database.剑桥结构数据库。
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Apr;72(Pt 2):171-9. doi: 10.1107/S2052520616003954. Epub 2016 Apr 1.
3
Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.磺胺噻唑多晶型物的实验电子密度与中子衍射研究
Cryst Growth Des. 2014 Mar 5;14(3):1227-1239. doi: 10.1021/cg401757z. Epub 2014 Jan 17.
4
Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173 K.磺胺吡啶（多晶型III）、磺胺吡啶二氧六环溶剂化物、磺胺吡啶四氢呋喃溶剂化物和磺胺吡啶哌啶溶剂化物，均处于173K温度下。
Acta Crystallogr C. 2011 Dec;67(Pt 12):o487-91. doi: 10.1107/S0108270111041825. Epub 2011 Nov 5.
5
The polymorphism of sulfapyridine.
J Am Chem Soc. 1946 Jan;68:64-6. doi: 10.1021/ja01205a020.
6
Polymorph VI of sulfapyridine: interpenetrating two- and three-dimensional hydrogen-bonded nets formed from two tautomeric forms.磺胺吡啶的多晶型VI：由两种互变异构形式形成的二维和三维氢键相互贯穿网络。
Acta Crystallogr C. 2007 Jun;63(Pt 6):o323-6. doi: 10.1107/S0108270107017817. Epub 2007 May 11.
7
Novel tools for visualizing and exploring intermolecular interactions in molecular crystals.用于可视化和探索分子晶体中分子间相互作用的新型工具。
Acta Crystallogr B. 2004 Dec;60(Pt 6):627-68. doi: 10.1107/S0108768104020300. Epub 2004 Nov 11.
8
A probabilistic approach to space-group determination from powder diffraction data.
Acta Crystallogr A. 2001 Jan;57(Pt 1):47-54. doi: 10.1107/s0108767300012174.
9
Conformational polymorphism VI: the crystal and molecular structures of form II, form III, and form V of 4-amino-N-2-pyridinylbenzenesulfonamide (sulfapyridine).构象多态性VI：4-氨基-N-2-吡啶基苯磺酰胺（磺胺吡啶）II型、III型和V型的晶体结构与分子结构
J Pharm Sci. 1985 Mar;74(3):255-63. doi: 10.1002/jps.2600740307.
10
Polymorph IV of 4-amino-N-2-pyridinylbenzenesulfonamide (sulfapyridine).4-氨基-N-2-吡啶基苯磺酰胺（磺胺吡啶）的多晶型IV
Acta Crystallogr C. 1988 May 15;44 ( Pt 5):900-2. doi: 10.1107/s0108270188001180.