Abstract
In the title compound, C12H11N3O2, the benzotriazole ring system is approximately planar [maximum deviation = 0.008 (1) Å] and its mean plane is oriented at a dihedral angle of 24.05 (4)° with respect to the furan ring. In the crystal, O—H⋯N hydrogen bonds link the molecules into chains along the ac diagonal. π–π stacking between the furan rings, between the triazole and benzene rings, and between the benzene rings [centroid–centroid distances = 3.724 (1), 3.786 (1) and 3.8623 (9) Å] are also observed.
Highlights
0.008 (1) Å] and its mean plane is oriented at a dihedral angle of 24.05 (4) with respect to the furan ring
O—H N hydrogen bonds link the molecules into chains along the ac diagonal. – stacking between the furan rings, between the triazole and benzene rings, and between the benzene rings [centroid–centroid distances = 3.724 (1), 3.786 (1) and 3.8623 (9) Å] are observed
Hydrogen atoms not involved in hydrogen bonding have been omitted for clarity
Summary
Min = 0.55 e Å3 a Department of Chemistry, Zonguldak Karaelmas University, 67100 Zonguldak, Turkey, bDepartment of Chemistry, Southampton University, Southampton. Symmetry code: (i) x; y þ 32; z 12. R factor = 0.054; wR factor = 0.139; data-to-parameter ratio = 16.3. C12H11N3O2, the benzotriazole ring system is approximately planar [maximum deviation =. 0.008 (1) Å] and its mean plane is oriented at a dihedral angle of 24.05 (4) with respect to the furan ring. – stacking between the furan rings, between the triazole and benzene rings, and between the benzene rings [centroid–centroid distances = 3.724 (1), 3.786 (1) and 3.8623 (9) Å] are observed. Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5402)
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.
