MersV1, Ncbi, Merge, bibRecord, 001B88

Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate

Identifieur interne : 001B88 ( Ncbi/Merge ); précédent : 001B87; suivant : 001B89

Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate

Auteurs : Muthaiah Jeevaraj [Inde] ; Palaniyappan Sivajeyanthi [Inde] ; Bellarmin Edison [Inde] ; Kaliyaperumal Thanigaimani [Inde] ; Kasthuri Balasubramani [Inde] ; Ibrahim Abdul Razak [Malaisie]

Source :

Acta Crystallographica Section E: Crystallographic Communications [ 2056-9890 ] ; 2017.

RBID : PMC:5588567

Abstract

Tetrameric associations of two cations and two anions occur, being linked by N—H⋯O hydrogen bonds.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588567

DOI: 10.1107/S2056989017011252
PubMed: 28932461
PubMed Central: 5588567

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to stream Pmc, to step Corpus: 000980
to stream Pmc, to step Curation: 000980
to stream Pmc, to step Checkpoint: 000899
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to stream PubMed, to step Curation: 000B44
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Links to Exploration step

PMC:5588567

Le document en format XML

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<sourceDesc><biblStruct><analytic><title xml:lang="en">Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth-oxy-6-methyl-pyrimidinium 2-hy-droxy-benzoate.</title>
<author><name sortKey="Jeevaraj, Muthaiah" sort="Jeevaraj, Muthaiah" uniqKey="Jeevaraj M" first="Muthaiah" last="Jeevaraj">Muthaiah Jeevaraj</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Government Arts College (Autonomous), Thanthonimalai, Karur 639 005, Tamil Nadu, India.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Department of Chemistry, Government Arts College (Autonomous), Thanthonimalai, Karur 639 005, Tamil Nadu</wicri:regionArea>
<wicri:noRegion>Tamil Nadu</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Sivajeyanthi, Palaniyappan" sort="Sivajeyanthi, Palaniyappan" uniqKey="Sivajeyanthi P" first="Palaniyappan" last="Sivajeyanthi">Palaniyappan Sivajeyanthi</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Government Arts College (Autonomous), Thanthonimalai, Karur 639 005, Tamil Nadu, India.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Department of Chemistry, Government Arts College (Autonomous), Thanthonimalai, Karur 639 005, Tamil Nadu</wicri:regionArea>
<wicri:noRegion>Tamil Nadu</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Edison, Bellarmin" sort="Edison, Bellarmin" uniqKey="Edison B" first="Bellarmin" last="Edison">Bellarmin Edison</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Government Arts College (Autonomous), Thanthonimalai, Karur 639 005, Tamil Nadu, India.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Department of Chemistry, Government Arts College (Autonomous), Thanthonimalai, Karur 639 005, Tamil Nadu</wicri:regionArea>
<wicri:noRegion>Tamil Nadu</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Thanigaimani, Kaliyaperumal" sort="Thanigaimani, Kaliyaperumal" uniqKey="Thanigaimani K" first="Kaliyaperumal" last="Thanigaimani">Kaliyaperumal Thanigaimani</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Government Arts College, Tiruchirappalli 620 022, Tamil Nadu, India.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Department of Chemistry, Government Arts College, Tiruchirappalli 620 022, Tamil Nadu</wicri:regionArea>
<wicri:noRegion>Tamil Nadu</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Balasubramani, Kasthuri" sort="Balasubramani, Kasthuri" uniqKey="Balasubramani K" first="Kasthuri" last="Balasubramani">Kasthuri Balasubramani</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Government Arts College (Autonomous), Thanthonimalai, Karur 639 005, Tamil Nadu, India.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Department of Chemistry, Government Arts College (Autonomous), Thanthonimalai, Karur 639 005, Tamil Nadu</wicri:regionArea>
<wicri:noRegion>Tamil Nadu</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Razak, Ibrahim Abdul" sort="Razak, Ibrahim Abdul" uniqKey="Razak I" first="Ibrahim Abdul" last="Razak">Ibrahim Abdul Razak</name>
<affiliation wicri:level="1"><nlm:affiliation>School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.</nlm:affiliation>
<country xml:lang="fr">Malaisie</country>
<wicri:regionArea>School of Physics, Universiti Sains Malaysia, 11800 USM, Penang</wicri:regionArea>
<wicri:noRegion>Penang</wicri:noRegion>
</affiliation>
</author>
</analytic>
<series><title level="j">Acta crystallographica. Section E, Crystallographic communications</title>
<idno type="ISSN">2056-9890</idno>
<imprint><date when="2017" type="published">2017</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass></textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">In the title mol-ecular salt, C<sub>6</sub>
H<sub>10</sub>
N<sub>3</sub>
O<sup>+</sup>
·C<sub>7</sub>
H<sub>5</sub>
O<sub>3</sub>
<sup>-</sup>
, the cation is protonated at the N atom lying between the amine and methyl substituents and the dihedral angle between the carboxyl group and its attached ring in the anion is 4.0 (2)°. The anion features an intra-molecular O-H⋯O hydrogen bond, which closes an <i>S</i>
(6) ring. The cation and anion are linked by two N-H⋯O hydrogen bonds [<i>R</i>
<sub>2</sub>
<sup>2</sup>
(8) motif] to generate an ion pair in which the dihedral angle between the aromatic rings is 8.34 (9)°. Crystal symmetry relates two ion pairs bridged by further N-H⋯O hydrogen bonds into a tetra-meric <i>DDAA</i>
 array. The tetra-mers are linked by pairs of C-H⋯O hydrogen bonds to generate [100] chains. Hirshfeld surface and fingerprint plot analyses are presented.</div>
</front>
</TEI>
</pubmed>
</double>
</record>

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Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate

Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate

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Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate

Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate