Yazar "Siddaraju, B. P." seçeneğine göre listele

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  • Küçük Resim
    Öğe
    Crystal structure and Hirshfeld surface analysis of (2 E)-3-(2,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one
    (2018) Murthy, T. N. Sanjeeva; Atioğlu, Zeliha; Kumar, C. S. Chidan; Veeraiah, M. K.; Quah, Ching Kheng; Siddaraju, B. P.
    The mol­ecular structure of the title compound, C13H6Cl4OS, consists of a 2,5-di­chloro­thio­phene ring and a 2,4-di­chloro­phenyl ring linked via a prop-2-en-1-one spacer. The dihedral angle between the 2,5-di­chloro­thio­phene ring and the 2,4-di­chloro­phenyl ring is 12.24?(15)°. The mol­ecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. The mol­ecular conformation is stabilized by intra­molecular C—H...Cl contacts, producing S(6) and S(5) ring motifs. In the crystal, the mol­ecules are linked along the a-axis direction through face-to-face ?-stacking between the thio­phene rings and the benzene rings of the mol­ecules in zigzag sheets lying parallel to the bc plane along the c axis. The inter­molecular inter­actions in the crystal packing were further analysed using Hirshfield surface analysis, which indicates that the most significant contacts are Cl...H/ H...Cl (20.8%), followed by Cl...Cl (18.7%), C...C (11.9%), Cl...S/S...Cl (10.9%), H...H (10.1%), C...H/H...C (9.3%) and O...H/H...O (7.6%)
  • Küçük Resim
    Öğe
    Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-bromo-4-fluoro­phen­yl)-1-(3,4-di­meth­oxy­phen­yl)prop-2-en-1-one
    (2018) Sheshadri, S. N.; Atioğlu, Zeliha; Veeraiah, M. K.; Quah, Ching Kheng; Kumar, C. S. Chidan; Siddaraju, B. P.
    In the mol­ecule of the title compound, C17H14BrFO3, the aromatic rings are tilted with respect to the enone bridge by 13.63?(14) and 4.27?(15)°, and form a dihedral angle 17.91?(17)°. In the crystal, centrosymmetrically related mol­ecules are linked by pairs of C—H...O hydrogen bonds into dimeric units, forming rings of R22(14) graph-set motif. The dimers are further connected by weak C—H...O hydrogen inter­actions, forming layers parallel to (10\overline{1}). Hirshfeld surface analysis shows that van der Waals inter­actions constitute the major contribution to the inter­molecular inter­actions, with H...H contacts accounting for 29.7% of the surface.
  • Küçük Resim
    Öğe
    Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
    (2018) Sheshadri, S. N.; Atioğlu, Zeliha; Akkurt, Mehmet; Kumar, C. S. Chidan; Quah, Ching Kheng; Siddaraju, B. P.; Veeraiah, M. K.
    In title compound, C17H15ClO3, the dihedral angle between the benzene and chloro­phenyl rings is 18.46?(7)°. In the crystal, mol­ecules are linked by C—H...O hydrogen contacts, enclosing an R22(14) ring motif, and by a further C—H...O hydrogen contact, forming a two-dimensional supra­molecular structure extending along the direction parallel to the ac plane. Hirshfeld surface analysis shows that van der Waals inter­actions constitute the major contribution to the inter­molecular inter­actions, with H...H contacts accounting for 36.2% of the surface.
  • Küçük Resim
    Öğe
    Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro­phen­yl)-1-(2,5-di­chloro­thio­phen-3-yl)prop-2-en-1-one
    (2019) Murthy, T. N. Sanjeeva; Atioğlu, Zeliha; Akkurt, Mehmet; Veeraiah, M. K.; Quah, Ching Kheng; Kumar, C. S. Chidan; Siddaraju, B. P.
    The mol­ecular structure of the title compound, C13H7Cl3OS, consists of a 2,5- di­chloro­thio­phene ring and a 2-chloro­phenyl ring linked via a prop-2-en-1-one spacer. The dihedral angle between the 2,5-di­chloro­thio­phene and 2-chloro­phenyl rings is 9.69?(12)°. The mol­ecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. The mol­ecular conformation is stabilized by two intra­molecular C—H?Cl contacts and one intra­molecular C—H?O contact, forming S(5)S(5)S(6) ring motifs. In the crystal, the mol­ecules are linked along the a-axis direction through van der Waals forces and along the b axis by face-to-face ?-stacking between the thio­phene rings and between the benzene rings of neighbouring mol­ecules, forming corrugated sheets lying parallel to the bc plane. The inter­molecular inter­actions in the crystal packing were further analysed using Hirshfield surface analysis, which indicates that the most significant contacts are Cl?H/ H?Cl (28.6%), followed by C?H/H?C (11.9%), C?C (11.1%), H?H (11.0%), Cl?Cl (8.1%), O?H/H?O (8.0%) and S?H/H?S (6.6%).