Abstract
The cation of the title compound, C6H8NO2 +·Cl−, is essentially planar (r.m.s. deviation = 0.0104 Å). Intermolecular O—H⋯Cl and N—H⋯Cl hydrogen bonds, as well as C—H⋯O contacts, connect the molecules in the crystal structure. A short C⋯C distance of only 3.3930 (19) Å between C atoms of neighbouring rings is indicative of π-stacking. The corresponding centroid–centroid distance between the two aromatic systems is 4.2370 (7) Å due to the small overlap of the adjacent rings.
Highlights
Nelson Mandela Metropolitan University, Summerstrand Campus, Department of Chemistry, University Way, Summerstrand, PO Box 77000, Port Elizabeth 6031, South Africa
H atoms treated by a mixture of independent and constrained refinement max = 0.35 e Å3
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x−1, y, z; (iii) −x+1, −y+2, −z; (iv) x, y, z+1
Summary
Nelson Mandela Metropolitan University, Summerstrand Campus, Department of Chemistry, University Way, Summerstrand, PO Box 77000, Port Elizabeth 6031, South Africa. H atoms treated by a mixture of independent and constrained refinement max = 0.35 e Å3. R factor = 0.025; wR factor = 0.073; data-to-parameter ratio = 16.6. The cation of the title compound, C6H8NO2+Cl, is essentially planar (r.m.s. deviation = 0.0104 Å). H Cl and N—H Cl hydrogen bonds, as well as C—H O contacts, connect the molecules in the crystal structure. A short C C distance of only 3.3930 (19) Å between C atoms of neighbouring rings is indicative of -stacking. The corresponding centroid–centroid distance between the two aromatic systems is 4.2370 (7) Å due to the small overlap of the adjacent rings
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.
