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ABSTRACT: In the crystal structure of the title compound, C(9)H(10)ClN(3)S, the mol-ecules form chains parallel to [001] through N-H⋯S hydrogen bonds. In addition, weak inter-molecular N-H⋯Cl hydrogen bonds connect the chains, forming a two-dimensional network parallel to (001).
Acta Crystallographica Section E Structure Reports Online 08/2012; 68(Pt 8):o2309. · 0.35 Impact Factor
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ABSTRACT: The title mol-ecule, C(26)H(22)N(4)S, is composed of three main parts, viz. a triphenyl-amine group is connected to a phenyl ring by a thio-semicarbazone moiety. The C= N double bond has an E conformation. The crystal packing is dominated by strong hydrogen bonds through the thio-semicarbazone moiety, with pairs of N-H⋯S hydrogen bonds linking the mol-ecules to form inversion dimers with an R(2) (2)(8) ring motif. An intra-molecular N-H⋯N hydrogen bond is also present, generating an S(5) ring motif. Although the structure contains four phenyl rings, π-π stacking inter-actions are not formed between them, probably due to the conformation adopted by the triphenyl-amine group. However, a weak π-π stacking inter-action is observed between the phenyl ring and the delocalized thio-semicarbazone moiety.
Acta Crystallographica Section E Structure Reports Online 08/2012; 68(Pt 8):o2402-3. · 0.35 Impact Factor
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ABSTRACT: In the crystal structure of the title compound, C(11)H(13)N(3)S, mol-ecules form centrosymmetric synthons with an R(2) (2)(8) graph-set motif, linked by pairs of N-H⋯S hydrogen bonds. The synthons are connected through further N-H⋯S hydrogen bonds, extending the packing to form a two-dimensional network lying parallel to (001). In addition, C-H⋯π inter-actions are observed.
Acta Crystallographica Section E Structure Reports Online 06/2012; 68(Pt 6):o1840. · 0.35 Impact Factor
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ABSTRACT: The mol-ecule of the title compound, C(12)H(15)N(3)O(2)S, which belongs to the family of thio-semicarbazones, containing an acid group, adopts a semi-closed conformation with an intramolecular N-H⋯N hydrogen bond. In the crystal, molecules are linked by strong N-H⋯O and O-H⋯S hydrogen bonds between the acid group and thiosemicarbazone unit, with one additional intermolecular hydrogen C-H⋯O interaction. These three interactions form R(2) (2)(8) and a R(2) (1)(7) rings and the molecules related by the c-glide plane are linked into a zigzag chain along [001].
Acta Crystallographica Section E Structure Reports Online 06/2012; 68(Pt 6):o1945-6. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(13)H(12)N(4)O, the semicarbazone fragment links a benzene and a pyridine ring in the structure. The crystal packing is stabilized by strong inter-molecular N-H⋯O hydrogen bonds, which connect two mol-ecules to form a synthon unit, and by N-H⋯N hydrogen bonds and weak C-H⋯π inter-actions. The mol-ecular conformation is stabil-ized by intra-molecular N-H⋯N and C-H⋯O inter-actions.
Acta Crystallographica Section E Structure Reports Online 05/2011; 67(Pt 5):o1135. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(11)H(10)O(3), the benzodioxole ring adopts a flattened [puckering parameters: q(2) = 0.107 (2) Å, ϕ(2) = 160 (1)°] envelope conformation with the methylene C atom as the flap. The crystal packing features chains, parallel to the c axis, composed of dimers connected by weak C-H-O hydrogen bonds and extending in layers in the bc plane.
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 3):o583. · 0.35 Impact Factor
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ABSTRACT: The title compound, C21H19NO, belongs to the family of α-aminoketones. The structure contains three benzene rings, two of which [the phenyl ring in the 1-position (B) and the methylaniline ring (A)] are nearly coplanar [dihedral angle = 5.4 (1)°], whereas the phenyl ring in the 2-position (C) is nearly normal to them [dihedral angles = 81.8 (1) and 87.0 (1)° for A/C and B/C, respectively]. The conformation of the N—H bond is syn to the C=O bond, favouring the formation of a centrosymmetric dimer of molecules in the crystal structure. The molecular packing is consolidated by this N—H...O hydrogen-bonding network.
Acta Crystallographica Section E. 01/2010;
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ABSTRACT: The title compound, C(21)H(19)NO, belongs to the family of α-amino-ketones. The structure contains three benzene rings, two of which [the phenyl ring in the 1-position (B) and the methylaniline ring (A)] are nearly coplanar [dihedral angle = 5.4 (1)°], whereas the phenyl ring in the 2-position (C) is nearly normal to them [dihedral angles = 81.8 (1) and 87.0 (1)° for A/C and B/C, respectively]. The conformation of the N-H bond is syn to the C=O bond, favouring the formation of a centrosymmetric dimer of mol-ecules in the crystal structure. The mol-ecular packing is consolidated by this N-H⋯O hydrogen-bonding network.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 5):o1107. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(14)H(13)N(3)S·H(2)O, the thio-semicarbazide group is nearly planar, with a maximum deviation of 0.072 (2) Å from the ideal least-squares plane, and shows an E conformation. In the crystal packing, the water mol-ecules are involved in an extensive inter-molecular N-H⋯O hydrogen-bond network, assisted by O-H⋯S inter-actions, which link the independent mol-ecules into chains extended along b axis. An intra-molecular hydrogen N-H⋯N bond helps to stabilize the mol-ecular conformation.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 5):o1029. · 0.35 Impact Factor
