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The unsubstituted ortho-amidino benzoic acid : crystal structure, characterization and pKa determination

The unsubstituted ortho-amidino benzoic acid : crystal structure, characterization and pKa determination

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HORDIYENKO, Olga V., Angelina V. BIITSEVA, Yuliya Yu. KOSTINA, Roman I. ZUBATYUK, Oleg V. SHISHKIN, Ulrich GROTH, Mikhail Yu. KORNILOV, 2017. The unsubstituted ortho-amidino benzoic acid : crystal structure, characterization and pKa determination. In: Structural Chemistry. 28(3), pp. 607-616. ISSN 1040-0400. eISSN 1572-9001

@article{Hordiyenko2017unsub-39224, title={The unsubstituted ortho-amidino benzoic acid : crystal structure, characterization and pKa determination}, year={2017}, doi={10.1007/s11224-016-0822-x}, number={3}, volume={28}, issn={1040-0400}, journal={Structural Chemistry}, pages={607--616}, author={Hordiyenko, Olga V. and Biitseva, Angelina V. and Kostina, Yuliya Yu. and Zubatyuk, Roman I. and Shishkin, Oleg V. and Groth, Ulrich and Kornilov, Mikhail Yu.} }

<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bibo="http://purl.org/ontology/bibo/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > <rdf:Description rdf:about="https://kops.uni-konstanz.de/rdf/resource/123456789/39224"> <dc:language>eng</dc:language> <dc:contributor>Kostina, Yuliya Yu.</dc:contributor> <dcterms:issued>2017</dcterms:issued> <dc:contributor>Biitseva, Angelina V.</dc:contributor> <dcterms:title>The unsubstituted ortho-amidino benzoic acid : crystal structure, characterization and pKa determination</dcterms:title> <dc:creator>Hordiyenko, Olga V.</dc:creator> <dcterms:abstract xml:lang="eng">The simplest o-amidino benzoic acid—2-(amino(imino)methyl)benzoic acid—has been isolated in 23 % yield as a side product of the reaction of phthalonitrile and ammonia along with desired 1-imino-1H-isoindol-3-amine. This amidino acid was fully characterized by nuclear magnetic resonance, IR spectroscopy, mass spectrometry; pKa values were also determined. X-ray diffraction study and quantum chemical calculations revealed that in the solid state it exists as a zwitterion that is stabilized by intermolecular hydrogen bonds.</dcterms:abstract> <dc:creator>Zubatyuk, Roman I.</dc:creator> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2017-06-13T08:04:10Z</dc:date> <dc:contributor>Groth, Ulrich</dc:contributor> <dc:contributor>Zubatyuk, Roman I.</dc:contributor> <dc:creator>Biitseva, Angelina V.</dc:creator> <dc:contributor>Hordiyenko, Olga V.</dc:contributor> <bibo:uri rdf:resource="https://kops.uni-konstanz.de/handle/123456789/39224"/> <dc:contributor>Kornilov, Mikhail Yu.</dc:contributor> <dc:creator>Kostina, Yuliya Yu.</dc:creator> <dc:creator>Groth, Ulrich</dc:creator> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2017-06-13T08:04:10Z</dcterms:available> <dc:contributor>Shishkin, Oleg V.</dc:contributor> <dc:creator>Kornilov, Mikhail Yu.</dc:creator> <dc:creator>Shishkin, Oleg V.</dc:creator> </rdf:Description> </rdf:RDF>

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