Year-end Sale % OFF 
Abstract
In the title compound, C29H27N3O4S·0.5C6H14, the heterocyclic thiazine ring adopts a half-chair conformation with the S and N atoms displaced by 0.500 (5) and 0.229 (5) Å, respectively, on opposite sides from the mean plane formed by the remaining ring atoms. The mean planes of the pyrazole ring and the benzene ring bonded to it form a dihedral angle of 35.76 (11)° and an intramolecular O—H⋯O hydrogen bond ocurs. The crystal structure features O—H⋯O and C—H⋯O hydrogen bonds. There is a half-molecule of hexane in the asymmetric unit lying about an inversion center. It is disordered over two sets of sites with occupancy factors 0.590 (9) and 0.410 (9).
Highlights
C29H27N3O4S0.5C6H14, the heterocyclic thiazine ring adopts a half-chair conformation with the S
N atoms displaced by 0.500 (5) and 0.229 (5) Å, respectively, on opposite sides from the mean plane formed by the remaining ring atoms
The mean planes of the pyrazole ring and the benzene ring bonded to it form a dihedral angle of
Summary
C29H27N3O4S0.5C6H14, the heterocyclic thiazine ring adopts a half-chair conformation with the S and N atoms displaced by 0.500 (5) and 0.229 (5) Å, respectively, on opposite sides from the mean plane formed by the remaining ring atoms. The mean planes of the pyrazole ring and the benzene ring bonded to it form a dihedral angle of. 35.76 (11) and an intramolecular O—H O hydrogen bond ocurs. The crystal structure features O—H O and C—H O hydrogen bonds. There is a half-molecule of hexane in the asymmetric unit lying about an inversion center. It is disordered over two sets of sites with occupancy factors.
Sign-in/Register to view highlights & summary Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Acta Crystallographica Section E Structure Reports Online
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
