Acta Cryst. (2013). C69, 1553-1556 [ doi:10.1107/S0108270113031661 ]
Abstract: The title compounds, C14H9NOS, (1), and C14H9NO2S, (2), are oxidation products of the parent compound 10-ethynyl-10H-phenothiazine. They differ with respect to transannular interactions, the intramolecular SN contact being shorter in (2). Intermolecular Csp-HO hydrogen bonds were detected in both crystals, and (1) was found to form stronger hydrogen bonds. These results are in agreement with the lower acidity of Csp-H in (2), caused by an increase in -electron density due to the transannular SN interaction.
CCDC references: 972879 and 972880
Formula: C14H9NOS and C14H9NO2S
Keywords: crystal structure; oxidation products; 10-ethynyl-10H-phenothiazine; transannular SN interactions; intramolecular SN contact.
Structure factor file (CIF format) (123.6 kbytes)
Structure factor file (CIF format) (68.0 kbytes)
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