4‐[(Z)‐2‐(Methylsulfanyl)ethenyl]‐1‐phenyl‐1H‐1,2,3‐triazole: an order–disorder (OD) interpretation of twinning |
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Authors: | Berthold St ger,Daniel Lumpi,Johannes Fr hlich |
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Abstract: | The title compound, C11H11SN3, 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. |
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