Abstract
The crystal structure of N-isopropylphenothiazine, C15HlsNS, has been determined by the heavy-atom method. The refinement was carried out by the least-squares method with anisotropic temperature factors based on three-dimensional data to give a final R value of 0.045 for 4826 reflections. The space group is P21/c with Z = 8 , and the unit-cell dimensions are a=11.011 (4), b=17.186 (6), c= 13.598 (5) A and fl= 90.653 (3) °. There are two crystallographically independent molecules in one asymmetric unit of the crystal, and the two molecules have significantly different folding angles, and C-S-C and C-N-C bond angles within the central ring. The dihedral angles between the best planes of the benzene rings are 136.1 and 146.8 °, the C-S-C bond angles are 97.3 and 98.9 °, and the C-N-C bond angles within the central ring are 117.4 and 118.6 °, respectively, for the two crystallographically independent molecules. The average sulfur-carbon bond length is 1.760 (1) A, and the average carbon-nitrogen bond length within the ring is 1.412 (2) ,~. The three carbon-nitrogen bonds around the nitrogen atom are approximately planar in configuration. The packing of the molecules in the crystal is determined by the van der Waals interaction.
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Schedule a callMore From: Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry
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