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Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1H-pyrrol-2-yl)methyl]thiophene.
Sadikhova, Nurlana D; Atioglu, Zeliha; Guliyeva, Narmina A; Shelukho, Evgeniya R; Polyanskaya, Darya K; Khrustalev, Victor N; Akkurt, Mehmet; Bhattarai, Ajaya.
Afiliación
  • Sadikhova ND; Organic Chemistry Department, Baku State University, Az 1148 Baku, Azerbaijan.
  • Atioglu Z; Department of Aircraft Electrics and Electronics, School of Applied Sciences, Cappadocia University, Mustafapasa, 50420 Ürgüp, Nevsehir, Türkiye.
  • Guliyeva NA; Department of Organic Substances and Technology of High-Molecular Compounds, SRI "Geotechnological Problems of Oil, Gas and Chemistry", Azerbaijan State Oil and Industry University, Azadlig ave. 20, Az-1010 Baku, Azerbaijan.
  • Shelukho ER; RUDN University, 6 Miklukho-Maklaya St., Moscow 117198, Russian Federation.
  • Polyanskaya DK; RUDN University, 6 Miklukho-Maklaya St., Moscow 117198, Russian Federation.
  • Khrustalev VN; RUDN University, 6 Miklukho-Maklaya St., Moscow 117198, Russian Federation.
  • Akkurt M; Zelinsky Institute of Organic Chemistry of RAS, 4, 7 Leninsky Prospect, 119991 Moscow, Russian Federation.
  • Bhattarai A; Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Türkiye.
Acta Crystallogr E Crystallogr Commun ; 80(Pt 1): 72-77, 2024 Jan 01.
Article en En | MEDLINE | ID: mdl-38312153
ABSTRACT
In the title compound, C20H18N2S, the asymmetric unit comprises two similar mol-ecules (A and B). In mol-ecule A, the central thio-phene ring makes dihedral angles of 89.96 (12) and 57.39 (13)° with the 1H-pyrrole rings, which are bent at 83.22 (14)° relative to each other, and makes an angle of 85.98 (11)° with the phenyl ring. In mol-ecule B, the corresponding dihedral angles are 89.49 (13), 54.64 (12)°, 83.62 (14)° and 85.67 (11)°, respectively. In the crystal, mol-ecular pairs are bonded to each other by N-H⋯N inter-actions. N-H⋯π and C-H⋯π inter-actions further connect the mol-ecules, forming a three-dimensional network. A Hirshfeld surface analysis indicates that H⋯H (57.1% for mol-ecule A; 57.3% for mol-ecule B), C⋯H/H⋯C (30.7% for mol-ecules A and B) and S⋯H/H⋯S (6.2% for mol-ecule A; 6.4% for mol-ecule B) inter-actions are the most important contributors to the crystal packing.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Año: 2024 Tipo del documento: Article País de afiliación: Azerbaiyán Pais de publicación: Reino Unido
Texto completo
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XML
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Año: 2024 Tipo del documento: Article País de afiliación: Azerbaiyán Pais de publicación: Reino Unido