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Crystal Structure, Hirhfeld Surface Analysis and IR Analysis of 2-Amino-1,9-Dihydro-6H-Purin-6-One-Selenate-Water

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Abstract

A new guanine complex was synthesized and the structure was elucidated by SXRD and IR spectroscopic methods. Single-crystal X-ray diffraction analysis (SXRD) was used to describe the crystal structure. Triclinic, in the space group \(P\bar{1}\), with the following properties: a = 9.5945(3) Å, b = 13.1171(3) Å, c = 14.1905(3) Å, α = 79.756(2)°, β = 82.036(2)°, γ = 84.902(2)°, V = 1736.70(8) Å3, Z = 2. N–H⋯O, O–H⋯O and C–H⋯O hydrogen bonds connect the molecules in the crystal, creating a three-dimensional supramolecular framework. The title structure is stabilized by the intra and intermolecular strong hydrogen bonds, according to a Hirshfeld surface analysis of the recorded intermolecular interactions. For the title complex, the two main interactions are H⋯O/O⋯H (36.5%) and H⋯H (23.7%).

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Authors and Affiliations

  1. Département des Sciences de la Matière, Faculté des Sciences Exactes, des Sciences de la Nature et de la Vie, Université Larbi Ben Mhidi, Oum El Bouaghi, Algeria

    S. Baaziz

  2. Department of Physics, Faculty of Sciences,Ondokuz Mayis University, Samsun, Turkey

    E. B. Poyraz & N. Dege

  3. Laboratoire des Structures, Propriétés et Interactions Interatomiques, Université Abbes Laghrour-Khenchela, Khenchela, Algeria

    S. Baaziz, R. Benali-Cherif, W. Falek & B. Hannachi

  4. Université de Lorraine, Nancy, France

    E. Bendeif

  5. Université de Jijel-Mohamed SeddiK benyahıa, Jijel, Algeria

    N. Benali-Cherif

  6. Académie Algérienne des Sciences et des Technologies, Algiers, Algeria

    N. Benali-Cherif

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  1. S. Baaziz
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  2. E. B. Poyraz
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  3. R. Benali-Cherif
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  4. W. Falek
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  5. B. Hannachi
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  6. N. Dege
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  7. E. Bendeif
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Correspondence to N. Dege.

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Text © The Author(s), 2023, published in Zhurnal Strukturnoi Khimii, 2023, Vol. 64, No. 7, 113392.https://doi.org/10.26902/JSC_id113392

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Baaziz, S., Poyraz, E.B., Benali-Cherif, R. et al. Crystal Structure, Hirhfeld Surface Analysis and IR Analysis of 2-Amino-1,9-Dihydro-6H-Purin-6-One-Selenate-Water. J Struct Chem 64, 1350–1359 (2023). https://doi.org/10.1134/S0022476623070181

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  • DOI: https://doi.org/10.1134/S0022476623070181

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