Displaying all 2 publications

Abstract:
Sort:
  1. Zukerman-Schpector J, Dallasta Pedroso S, Sousa Madureira L, Weber Paixão M, Ali A, Tiekink ERT
    Acta Crystallogr E Crystallogr Commun, 2017 Nov 01;73(Pt 11):1716-1720.
    PMID: 29152358 DOI: 10.1107/S2056989017014748
    The mol-ecule in the title compound, C15H12N4O2, has a twisted L-shape with the dihedral angle between the aromatic rings of the N-bound benzene and C-bound benzyl groups being 70.60 (9)°. The nitro group is co-planar with the benzene ring to which it is connected [C-C-N-O torsion angle = 0.4 (3)°]. The three-dimensional packing is stabilized by a combination of methyl-ene-C-H⋯O(nitro), methyl-ene-C-H⋯π(phen-yl), phenyl-C-H⋯π(triazol-yl) and nitro-O⋯π(nitro-benzene) inter-actions, along with weak π(triazol-yl)-π(nitrobenzene) contacts [inter-centroid distance = 3.8386 (10) Å]. The importance of the specified inter-molecular contacts has been verified by an analysis of the calculated Hirshfeld surface.
  2. Ali A, Zukerman-Schpector J, Weber Paixão M, Jotani MM, Tiekink ERT
    Acta Crystallogr E Crystallogr Commun, 2018 Feb 01;74(Pt 2):184-188.
    PMID: 29850050 DOI: 10.1107/S2056989018000889
    In the title indole derivative, C17H15NO4S, the fused dioxolo-indole system is essentially planar [r.m.s. deviation of the 12 fitted atoms = 0.0249 Å] and is effectively perpendicular to the appended 4-tolyl ring, forming a dihedral angle of 89.95 (6)°. Overall, the mol-ecule has the shape of the letter L. In the crystal, supra-molecular layers in the ab plane are formed via weak 4-tolyl-C-H⋯π(C6-ring of indole) and S-O⋯π(1,3-dioxole) contacts. The aforementioned inter-actions along with inter-atomic H⋯H and H⋯O contacts are all shown to make significant contributions to the calculated Hirshfeld surfaces.
Related Terms
Filters
Contact Us

Please provide feedback to Administrator (afdal@afpm.org.my)

External Links