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(Z)-1-(2,5-Dichloro-3-thien-yl)ethanone semicarbazone.


ABSTRACT: The title mol-ecule, C(7)H(7)Cl(2)N(3)OS, is approximately planar [maximum deviation = 0.062?(1)?Å]. Short inter-molecular distances between the centroids of the five-membered rings [3.5340?(8)?Å] indicate the existence of ?-? inter-actions. An inter-esting feature of the crystal structure is the presence of short intra-molecular Cl?N inter-actions [3.0015?(11)?Å]. Mol-ecules are linked via pairs of inter-molecular N-H?O hydrogen bonds, generating R(2) (2)(8) ring motifs. Furthermore, N-H?O hydrogen bonds form R(2) (1)(7) ring motifs with C-H?O contacts, further consolidating the crystal structure. In the crystal, mol-ecules are linked by these inter-molecular inter-actions, forming chains along [001].

SUBMITTER: Fun HK 

PROVIDER: S-EPMC2977384 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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(Z)-1-(2,5-Dichloro-3-thien-yl)ethanone semicarbazone.

Fun Hoong-Kun HK   Quah Ching Kheng CK   Vijesh A M AM   Hegde Chitrakar C   Isloor Arun M AM  

Acta crystallographica. Section E, Structure reports online 20090715 Pt 8


The title mol-ecule, C(7)H(7)Cl(2)N(3)OS, is approximately planar [maximum deviation = 0.062 (1) Å]. Short inter-molecular distances between the centroids of the five-membered rings [3.5340 (8) Å] indicate the existence of π-π inter-actions. An inter-esting feature of the crystal structure is the presence of short intra-molecular Cl⋯N inter-actions [3.0015 (11) Å]. Mol-ecules are linked via pairs of inter-molecular N-H⋯O hydrogen bonds, generating R(2) (2)(8) ring motifs. Furthermore, N-H⋯O hydr  ...[more]

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