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  • Küçük Resim
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    Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis­(1H-pyrrol-2-yl)methyl]thiophene
    (2023) Sadikhova, Nurlana D; Atioğlu, Zeliha; Guliyeva, Narmina A; Shelukho, Evgeniya R; Polyanskaya, Darya K; Khrustalev, Victor N; Akkurt, Mehmet; Bhattarai, Ajaya
    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.
  • Küçük Resim
    Öğe
    Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di­methyl­phen­yl)-5-(4-nitro­phen­yl)-2H-1,2,3-triazole
    (2023) Maharramov, Abel; Shikhaliyev, Namiq Q; Abdullayeva, Afaq; Atakishiyeva,Gulnar T; Niyazova, Ayten; Khrustalev, Victor N; Gahramanova, Shahnaz I; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya
    In the title compound, C16H13N7O2, the 3,5-dimethylphenyl and 4-nitrophenyl rings are inclined to the central 2H-1,2,3-triazole ring by 1.80 (7) and 1.79 (7)?, respectively, and to one another by 2.16 (7)?. In the crystal, the molecules are linked by C—H? ? ?N hydrogen bonds and ?–? stacking interactions [centroid-tocentroid distances = 3.7295 (9) and 3.7971 (9) A? ], forming ribbons along the baxis direction. These ribbons are connected to each other by weak van der Waals interactions and the stability of the crystal structure is ensured.
  • Küçük Resim
    Öğe
    Crystal structure and Hirshfeld surface analysis of di­methyl 4-hy­dr­oxy-5,4?-di­methyl-2?-(toluene-4-sulfonyl­amino)­bi­phenyl-2,3-di­carboxyl­ate
    (2023) Guliyeva, Narmina A; Burkin, Gleb M; Annadurdyyeva, Selbi; Khrustalev, Victor N; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya
    In the title compound, C25H25NO7S, the molecular conformation is stabilized by intramolecular O—H?O and N—H?O hydrogen bonds, which form S(6) and S(8) ring motifs, respectively. The molecules are bent at the S atom with a C—SO2—NH—C torsion angle of ?70.86?(11)°. In the crystal, molecules are linked by C—H?O and N—H?O hydrogen bonds, forming molecular layers parallel to the (100) plane. C—H?? interactions are observed between these layers.
  • Küçük Resim
    Öğe
    Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di­chloro-1-[(E)-phenyl­diazen­yl]eth­enyl}benzoate, methyl 4-{2,2-di­chloro-1-[(E)-(4-methyl­phen­yl)diazen­yl]ethen­yl}benzoate and methyl 4-{2,2-di­chloro-1-[(E)-(3,4-di­methyl­phen­yl)diazen­yl]ethen­yl}benzoate
    (2024) Shikhaliyev, Namiq Q; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T; Ahmedova, Nigar E; Babayeva, Gulnara V; Khrustalev, Victor N; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya
    The crystal structures and Hirshfeld surface analyses of three similar azo compounds are reported. Methyl 4-{2,2-dichloro-1-[(E)-phenyldiazenyl]ethenyl}benzoate, C16H12Cl2N2O2, (I), and methyl 4-{2,2-dichloro-1-[(E)-(4-methylphenyl)diazenyl]ethenyl}benzoate, C17H14Cl2N2O2, (II), crystallize in the space group P21/c with Z = 4, and methyl 4-{2,2-dichloro-1-[(E)-(3,4-dimethylphenyl)diazenyl]ethenyl}benzoate, C18H16Cl2N2O2, (III), in the space group P\overline{1} with Z = 2. In the crystal of (I), molecules are linked by C—H?N hydrogen bonds, forming chains with C(6) motifs parallel to the b axis. Short intermolecular Cl?O contacts of 2.8421?(16)?Å and weak van der Waals interactions between these chains stabilize the crystal structure. In (II), molecules are linked by C—H?O hydrogen bonds and C—Cl?? interactions, forming layers parallel to (010). Weak van der Waals interactions between these layers …