Synthesis, crystal and molecular structures of 1-n-butyl-2-(3′- chlorophenyl)-1H-benzimidazole-5-carbonitrile hemihydrate and 1-n-butyl-2-(3′,4′-dimethoxyphenyl)-1H-benzimidazole-5-carbonitrile

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Atıf İçin Kopyala

Kazak C., YILMAZ V. T., GÖKER A. H., Kus C.

Crystal Research and Technology, cilt.41, sa.5, ss.528-532, 2006 (SCI-Expanded)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 41 Sayı: 5
• Basım Tarihi: 2006
• Doi Numarası: 10.1002/crat.200510617
• Dergi Adı: Crystal Research and Technology
• Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Sayfa Sayıları: ss.528-532
• Anahtar Kelimeler: benzimidazole, 5-cyanobenzimidazole derivatives, crystal structure, EFFICACY, PLACEBO, SAFETY
• Ankara Üniversitesi Adresli: Evet

Özet

Two types of 5-cyanobenzimidazole derivatives with 1-n-butyl-2-(3′- chlorophenyl), (C18H16N3Cl)2· H2O (1) and 1-n-butyl-2-(3′,4′-dimethoxyphenyl), (C 20H21N3O2) (2) were prepared and their crystal structures were solved and reported. (1) crystallizes in the triclinic space group P1̄ with a = 8.7682(7), b = 12.9392(10), c = 15.4435(12) Å, α = 81.401(6)° β = 76.073(6°, γ = 77.479(6)°, Z = 2, V= 1651.4(2) Å3, while (2) crystallizes in the monoclinic space group C2/c with a = 23.1981(15), b = 9.2959(4), c= 16.5505(11) Å, α = 90.00° β = 95.850(5)°, γ = 90.00°, Z = 8, V = 3550.5(4) Å3. There are two distinct molecules with similar conformations in the asymmetric unit of (1). The imidazole and phenyl rings, forming the benzimidazole system are coplanar, and the bicyclic benzimidazole and the phenyl rings are essentially planar. The benzimidazole ring systems make dihedral angles of 28.97(0.08) and 49.29(0.06)° with the phenyl rings in (1) and (2), respectively. The structure of (1) is defined by weak aromatic π-π interactions and intermolecular hydrogen bonds, while there are no conventional hydrogen bonds in (2), and its crystal packing is dominated by van der Waal's and dipole-dipole interactions. © 2006 WILEY-VCH Verlag GmbH & Co. KGaA.