Literature DB >> 22051964

4-[(Z)-2-(methylsulfanyl)ethenyl]-1-phenyl-1H-1,2,3-triazole: an order-disorder (OD) interpretation of twinning.

Berthold Stöger1, Daniel Lumpi, Johannes Fröhlich.   

Abstract

The title compound, C(11)H(11)SN(3), crystallizes as twins with a twin volume fraction of 0.4232 (13). An order-disorder (OD) interpretation gives a plausible explanation of the crystallization behaviour. The structure is a polytype with a maximum degree of order (MDO). The contact plane is interpreted as being composed of a fragment of the second MDO polytype. The planes of the triazole and phenyl rings are twisted by 36.88 (6)°. Molecules are connected via C-H···N hydrogen bonds, forming layers parallel to (100). The layers can be arranged in geometrically different but energetically virtually equivalent ways, giving rise to polytypism.

Entities:  

Year:  2011        PMID: 22051964     DOI: 10.1107/S0108270111043083

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  1 in total

1.  2-[4-(2-Hy-droxy-propan-2-yl)-1H-1,2,3-triazol-1-yl]phenol.

Authors:  Li-Li Zhang; Kai Yu; Ling-Ling Liu; Dian-Shun Guo
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-03-31
  1 in total

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