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ABSTRACT: The mol-ecule of the title compound, C(12)H(14)Cl(2)O(2), lies about an inversion center. The six-membered ring is almost planar, with the largest deviation from the least-squares plane being 0.014 (4) Å. The mol-ecular conformation is stabilized by a weak intra-molecular C-H⋯O hydrogen bond. In the crystal, mol-ecules are packed into stacks along the c-axis direction, with an inter-centroid separation of 4.811 (2) Å. Neighboring mol-ecules within the stack are related by the c-glide plane.
Acta Crystallographica Section E Structure Reports Online 09/2012; 68(Pt 9):o2672. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(12)H(9)N(2) (+)·Br(-), the protonated tricyclic ring system is slightly twisted, with a dihedral angle of 3.9 (1)° between the two outer benzene rings. In the crystal, N-H⋯Br and C-H⋯Br hydrogen bonds link two cations and two bromide anions into centrosymmetric assemblies, which are further packed into stacks along [010] via π-π inter-actions between the aromatic rings [centroid-centroid distance = 3.725 (4) Å].
Acta Crystallographica Section E Structure Reports Online 07/2012; 68(Pt 7):o2204. · 0.35 Impact Factor
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ABSTRACT: The title salt, C(12)H(9)N(2) (+)·CH(3)O(4)S(-), contains an almost planar phenazinium cation [largest deviation from the least-squares plane = 0.040 (3) Å] and a methyl sulfate anion. The sulfate moiety of the latter is disordered over two sets of sites in a 0.853 (5):0.147 (5) ratio. In the crystal, the cations and anions are arranged alternately in layers parallel to (010). The cations pack along [100] with a tilt angle of 28.96 (4)° between this axis and the mean plane and are linked through inter-planar π-π inter-actions [shortest inter-planar distance = 3.421 (4) Å]. N-H⋯O hydrogen-bonding between the cations and anions is also observed.
Acta Crystallographica Section E Structure Reports Online 07/2012; 68(Pt 7):o2101. · 0.35 Impact Factor
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ABSTRACT: In the title water-solvated salt, C(21)H(22)P(+)·Br(-)·H(2)O, the ionic components are linked by short C-H⋯Br contacts along the a-axis direction. The two half occupied water mol-ecules are connected to each other by strong O-H⋯O hydrogen bonds and they are also linked to the bromide anion by short O-H⋯Br contacts.
Acta Crystallographica Section E Structure Reports Online 12/2011; 67(Pt 12):o3149. · 0.35 Impact Factor
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ABSTRACT: The title compound, (C(16)H(36)N)(2)[Cd(C(5)O(3)S(2))(2)]·0.25H(2)O, contains two disordered tetra-butyl-ammonium cations, a complex [Cd(C(5)O(3)S(2))(2)](2-) anion and a 0.25-hydrate water. The anion is composed of a bidentate coordinated 3,4,5-trioxocyclo-pent-1-ene-1,2-dithiol-ate (dtcroc) group forming a distorted tetra-hedral configuration around the Cd(II) ion. The dihedral angle between the least-squares planes of the ten-atom sulfur-substituted croconate groups in the anion is 84.10 (8)°. The crystal packing is stabilized by weak C-H⋯O and C-H⋯S cation-anion hydrogen-bond inter-actions. In each of the two cations one butyl group is disordered over two positions in the ratios 0.589 (11):0.411 (11) and 0.796 (12):0.204 (12).
Acta Crystallographica Section E Structure Reports Online 01/2010; 67(Pt 1):m12-3. · 0.35 Impact Factor
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ABSTRACT: In the title mol-ecule, C(24)H(25)Br, one of two tert-butyl groups is rotationally disordered between two orientations in a 0.59 (3):0.41 (3) ratio. The crystal packing exhibits no π-π inter-actions; however, relatively short inter-molecular Br⋯Br contacts of 3.654 (1) Å are observed.
Acta Crystallographica Section E Structure Reports Online 01/2009; 66(Pt 1):o216. · 0.35 Impact Factor
