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5-Methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid
| Content Provider | Semantic Scholar |
|---|---|
| Author | Zhao |
| Copyright Year | 2008 |
| Abstract | The title compound, C(10)H(9)N(3)O(2), was synthesized from azido-benzene and ethyl acetyl-acetate. A pair of hydrogen bonds [2.617 (2) Å] inter-connects a pair of the carboxyl groups, forming an R(2) (2)(8) inversion dimer, a frequent motif in carboxylic acids. In the title structure, the bonding H atom in the aforementioned O-H⋯O hydrogen bond is significantly shifted towards the acceptor O atom [the donor and acceptor O-H distances are 1.25 (4) and 1.38 (4) Å, respectively]. A plot of the O⋯O versus O-H distances in compounds with paired carboxyl groups shows that the title structure belongs to the group of structures with abnormally long O-H distances with regard to the O⋯O contacts. The displacement of the bonding H atom towards the centre of the hydrogen bond is concomitant with more equal C-O bonding distances in the carboxyl group. |
| Starting Page | o1843 |
| Ending Page | o1843 |
| Page Count | 1 |
| File Format | PDF HTM / HTML |
| DOI | 10.1107/S1600536808027311 |
| PubMed reference number | 21201814 |
| Journal | Medline |
| Volume Number | 64 |
| Alternate Webpage(s) | http://ftp.ncbi.nlm.nih.gov/pub/pmc/4c/e3/e-64-o1843.PMC2960561.pdf |
| Alternate Webpage(s) | http://journals.iucr.org/e/issues/2008/09/00/fb2106/fb2106.pdf |
| Alternate Webpage(s) | https://doi.org/10.1107/S1600536808027311 |
| Journal | Acta crystallographica. Section E, Structure reports online |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
