Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1H-pyrrol-2-yl)methyl]thiophene
Yükleniyor...
Dosyalar
Tarih
2023
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
In the title compound, C20H18N2S, the asymmetric unit comprises two similar molecules (A and B). In molecule A, the central thiophene 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 molecule B, the corresponding dihedral angles are 89.49?(13), 54.64?(12)°, 83.62?(14)° and 85.67?(11)°, respectively. In the crystal, molecular pairs are bonded to each other by N—H?N interactions. N—H?? and C—H?? interactions further connect the molecules, forming a three-dimensional network. A Hirshfeld surface analysis indicates that H?H (57.1% for molecule A; 57.3% for molecule B), C?H/H?C (30.7% for molecules A and B) and S?H/H?S (6.2% for molecule A; 6.4% for molecule B) interactions are the most important contributors to the crystal packing.
Açıklama
Anahtar Kelimeler
[Keywords Not Available]
Kaynak
Acta Cryst
WoS Q Değeri
Scopus Q Değeri
Cilt
80
Sayı
1
