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https://hdl.handle.net/10316/110149| Title: | Guanidinium 4-amino-benzoate | Authors: | Pereira Silva, P. S. Silva, M. Ramos Paixão, J. A. Matos-Beja, A. |
Keywords: | single-crystal X-ray study; T = 293 K; mean (C–C) = 0.002 A°; R factor = 0.037; wR factor = 0.109; data-to-parameter ratio = 15.6 | Issue Date: | 6-Feb-2010 | Publisher: | International Union of Crystallography | Project: | SFRH/BD/38387/2008 PTDC/FIS/103587/2008 |
Serial title, monograph or event: | Acta Crystallographica Section E: Structure Reports Online | Volume: | 66 | Issue: | Pt 3 | Abstract: | In the title compound, CH(6)N(3) (+)·C(7)H(6)NO(2) (-), the cation and anion lie on crystallographic mirror planes. The 4-amino-benzoate anion is almost in a planar conformation with a maximum deviation of 0.024 (2) Å for the N atom. The bond length in the deprotonated carboxyl group is inter-mediate between those of normal single and double Csp(2)=O bonds, indicating delocalization of the charge over both O atoms of the COO(-) group. In the crystal, N-H⋯O hydrogen bonds assemble the ions in layers propagating in the bc plane. This structure is very similar to that of guanidinium benzoate. | URI: | https://hdl.handle.net/10316/110149 | ISSN: | 1600-5368 | DOI: | 10.1107/S160053681000396X | Rights: | openAccess |
| Appears in Collections: | FCTUC Física - Artigos em Revistas Internacionais |
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| Guanidinium-4aminobenzoateActa-Crystallographica-Section-E-Structure-Reports-Online.pdf | 491.73 kB | Adobe PDF | View/Open |
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