different packing motifs of isomeric (e)-n′-(halophenylmethylidene)-n-methyl-2-(thiophen-2-yl)acetohydrazides controlled by c—h...o interactions

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ID: 130938
2018
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Abstract
The crystal structures of three isomeric (E)-N′-(chlorophenylmethylidene)-N-methyl-2-(thiophen-2-yl)acetohydrazides (C14H13ClN2OS) are described, with the Cl atom in ortho (I), meta (III) and para (IV) positions in the benzene ring. The ortho-bromo derivative (II) (C14H13BrN2OS), which is isostructural with its chloro congener (I), is also reported. Molecules (I)–(III) have similar conformations, which approximate to l-shapes, as indicated by their N—C—C—Ct (t = thiophene) torsion angles of −90.1 (3), −91.44 (18) and −90.7 (9)°, respectively. The conformation of (IV) is different, with an equivalent torsion angle of −170.75 (11)° corresponding to a more extended shape for the molecule. The thiophene ring in each structure features `flip' rotational disorder. The packing for (I) and (II) features inversion dimers, linked by pairs of C—H...O interactions, which generate R22(14) loops. In the crystal of (III), [010] C(8) chains arise, with adjacent molecules linked by pairs of C—H...O hydrogen bonds. The packing for (IV) features unusually short C—H...O interactions arising from an H atom attached to the benzene ring (H...O = 2.18 Å), which lead to C(9) [301] chains. Hirshfeld fingerprint percentage contact contributions are similar for the four title compounds.
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cardoso2018actadifferent Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors ;Laura N. F. Cardoso;Thais C. M. Noguiera;James L. Wardell;Marcus V. N. de Souza;William T. A. Harrison
Journal Disability and rehabilitation
Year 2018
DOI
10.1107/S2056989018001251
URL
http://scripts.iucr.org/cgi-bin/paper?S2056989018001251
Keywords
crystal structure methylation

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