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Copper(I) Thiocyanate Complex with 2-Benzylthio-4-(3,5-dimethyl-1H-pyrazol-1-yl)Pyrimidine: Synthesis, Polymorphism, and Luminescence.

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Title: Copper(I) Thiocyanate Complex with 2-Benzylthio-4-(3,5-dimethyl-1H-pyrazol-1-yl)Pyrimidine: Synthesis, Polymorphism, and Luminescence.
Authors: Skvortsova, S. V.1 (AUTHOR) skvortsova@niic.nsc.ru, Verkhov, F. K.2,3 (AUTHOR)
Source: Journal of Structural Chemistry. Apr2026, Vol. 67 Issue 4, p776-786. 11p.
Subjects: Polymorphism (Crystallography), Luminescence, Coordination compounds, Pyrimidine derivatives, Fluorescence, X-ray crystallography, Coordination polymers, Chemical synthesis
Abstract: A copper(I) thiocyanate complex with 2-benzylthio-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine (L) is prepared. According to the SC-XRD data, this complex is a ladder-like 1D coordination polymer [Cu2L2(SCN)2]n (P21/c space group). The ladder structure of the polymer is formed by bridging SCN– ions coordinated to Cu+ ions by N and S atoms, while the S atom is coordinated to two Cu+ ions. Thus, SCN– ions in this structure exhibit N,μ-S coordination. The L molecules are coordinated to Cu+ ions in monodentate mode via the N1 atom of the pyrimidine ring. The complex demonstrates green luminescence (λmax = 530 nm). Along with [Cu2L2(SCN)2]n, two other modifications of this complex - α-([CuL(SCN)] MeCN)n (P21/c space group) and β-([CuL(SCN)]·0.5MeCN)n (Aea2 space group) were characterized by SC-XRD, and it was shown that these complexes have a chained zigzag structure due to the N,S-coordination of SCN– ions, while L molecules are coordinated to the Cu+ ions in bidentate-cyclic mode via the N2 atom of the pyrimidine ring and the N4 atom of the pyrazole ring. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Structural Chemistry is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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DbLabel: Engineering Source
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  Data: Copper(I) Thiocyanate Complex with 2-Benzylthio-4-(3,5-dimethyl-1H-pyrazol-1-yl)Pyrimidine: Synthesis, Polymorphism, and Luminescence.
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  Data: <searchLink fieldCode="AR" term="%22Skvortsova%2C+S%2E+V%2E%22">Skvortsova, S. V.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> skvortsova@niic.nsc.ru</i><br /><searchLink fieldCode="AR" term="%22Verkhov%2C+F%2E+K%2E%22">Verkhov, F. K.</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Structural+Chemistry%22">Journal of Structural Chemistry</searchLink>. Apr2026, Vol. 67 Issue 4, p776-786. 11p.
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  Data: <searchLink fieldCode="DE" term="%22Polymorphism+%28Crystallography%29%22">Polymorphism (Crystallography)</searchLink><br /><searchLink fieldCode="DE" term="%22Luminescence%22">Luminescence</searchLink><br /><searchLink fieldCode="DE" term="%22Coordination+compounds%22">Coordination compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Pyrimidine+derivatives%22">Pyrimidine derivatives</searchLink><br /><searchLink fieldCode="DE" term="%22Fluorescence%22">Fluorescence</searchLink><br /><searchLink fieldCode="DE" term="%22X-ray+crystallography%22">X-ray crystallography</searchLink><br /><searchLink fieldCode="DE" term="%22Coordination+polymers%22">Coordination polymers</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+synthesis%22">Chemical synthesis</searchLink>
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  Data: A copper(I) thiocyanate complex with 2-benzylthio-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine (L) is prepared. According to the SC-XRD data, this complex is a ladder-like 1D coordination polymer [Cu2L2(SCN)2]n (P21/c space group). The ladder structure of the polymer is formed by bridging SCN– ions coordinated to Cu+ ions by N and S atoms, while the S atom is coordinated to two Cu+ ions. Thus, SCN– ions in this structure exhibit N,μ-S coordination. The L molecules are coordinated to Cu+ ions in monodentate mode via the N1 atom of the pyrimidine ring. The complex demonstrates green luminescence (λmax = 530 nm). Along with [Cu2L2(SCN)2]n, two other modifications of this complex - α-([CuL(SCN)] MeCN)n (P21/c space group) and β-([CuL(SCN)]·0.5MeCN)n (Aea2 space group) were characterized by SC-XRD, and it was shown that these complexes have a chained zigzag structure due to the N,S-coordination of SCN– ions, while L molecules are coordinated to the Cu+ ions in bidentate-cyclic mode via the N2 atom of the pyrimidine ring and the N4 atom of the pyrazole ring. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Structural Chemistry is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1134/S0022476626040062
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        Text: English
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        PageCount: 11
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      – SubjectFull: Polymorphism (Crystallography)
        Type: general
      – SubjectFull: Luminescence
        Type: general
      – SubjectFull: Coordination compounds
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      – SubjectFull: Pyrimidine derivatives
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      – SubjectFull: Fluorescence
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      – SubjectFull: X-ray crystallography
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      – SubjectFull: Coordination polymers
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      – SubjectFull: Chemical synthesis
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      – TitleFull: Copper(I) Thiocyanate Complex with 2-Benzylthio-4-(3,5-dimethyl-1H-pyrazol-1-yl)Pyrimidine: Synthesis, Polymorphism, and Luminescence.
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              M: 04
              Text: Apr2026
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              Y: 2026
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