Abstract
In the title compound, C17H14N4O7S, the dihedral angle between the two benzene rings is 9.04 (15)°. The centroid–centroid distance of 3.9825 (19) Å between nearly parallel benzene rings of adjacent molecules suggests the existence of π-π stacking. Intermolecular and intra-molecular N—H⋯O hydrogen bonding is present in the structure. The ethoxy group is disordered over two sets of sites with an occupancy ratio of 0.580 (15):0.420 (15). The crystal studied was an inversion twin.
Highlights
In the title compound, C17H14N4O7S, the dihedral angle between the two benzene rings is 9.04 (15)
The centroid– centroid distance of 3.9825 (19) Abetween nearly parallel benzene rings of adjacent molecules suggests the existence of - stacking
Intermolecular and intra-molecular N—HÁ Á ÁO hydrogen bonding is present in the structure
Summary
Key indicators: single-crystal X-ray study; T = 299 K; mean (C–C) = 0.004 A; disorder in main residue; R factor = 0.037; wR factor = 0.095; data-to-parameter ratio = 10.0. C17H14N4O7S, the dihedral angle between the two benzene rings is 9.04 (15). The centroid– centroid distance of 3.9825 (19) Abetween nearly parallel benzene rings of adjacent molecules suggests the existence of - stacking. Intermolecular and intra-molecular N—HÁ Á ÁO hydrogen bonding is present in the structure. The ethoxy group is disordered over two sets of sites with an occupancy ratio of 0.580 (15):0.420 (15). The crystal studied was an inversion twin. Related literature For background to the chemistry of thiourea derivatives and their bioloical activity, and a related structure, see: Saeed et al (2010).
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.
