Crystal and molecular structures of 1-(2-carboxypropan-2-ylamino)-3-(1-naphthyloxy) propan-2-ol (1) (C17H21NO4) and 1-(2-carbamoyl propan-2-ylamino)-3-(1-naphthyloxy) propan-2-ol (2) (C17H22N2O3)
Identifieur interne : 001F82 ( Main/Exploration ); précédent : 001F81; suivant : 001F83Crystal and molecular structures of 1-(2-carboxypropan-2-ylamino)-3-(1-naphthyloxy) propan-2-ol (1) (C17H21NO4) and 1-(2-carbamoyl propan-2-ylamino)-3-(1-naphthyloxy) propan-2-ol (2) (C17H22N2O3)
Auteurs : G. D. Bujacz [Pologne] ; M. W. Wieczorek [Pologne] ; E. Galas [Pologne]Source :
- Journal of Crystallographic and Spectroscopic Research [ 0277-8068 ] ; 1992-10-01.
English descriptors
- Teeft :
- Amide, Amide derivatives, Amide group, Amine group, Anisotropic temperature factors, Bond angles, Bond lengths, Bujacz, Carbon atoms, Carboxyl, Carboxyl group, Chain length, Compound, Crystal data, Derivative, Dihedral angles, Direct methods, Ester, Ester derivatives, Ester group, Final difference fourier, Full matrix leastsquares, Galas table, Gauche conformation, General view, Hydrogen atom, Hydrogen atoms, Hydrogen bond, Hydroxyl, Hydroxyl group, Intermolecular hydrogen bonds, Intramolecular hydrogen bonds, Largest shift, Last cycle, Main chain, Methyl ester, Naphthalene, Naphthalene ring, Nitrogen atom, Nitrogen atoms, Open circles, Oxomethylene bridge, Oxygen atom, Plane plane plane plane, Planes plane, Positional parameters, Refined parameters, Space group, Thermal vibrations, Torsion, Torsion angle, Torsion angles, Unit cell, Unit weight.
Abstract
Abstract: The crystal structures of two newβ-adrenergic antagonists, derivatives of propranolol containing 2-methylalanine fragment are described in this paper. The space groups and unit-cell parameters are: compound1 (C17H21NO4): monoclinic, space groupP21/n,a=5.787(1),b=18.703(4),c=23.526(5)Å,β=96.49(2)°; compound2 (C17H22N2O3): triclinic, space groupP¯1,a=8.321(1),b=10.121(1),c=10.368(1)Å,α=109.49(1)°,β=90.49(1)°, γ=103.48(1)°. The structures were solved by direct methods and refined with full matrix least-squares techniques toR indices of 0.055 and 0.049, respectively. The molecules of compound1 exist in the crystal as dual ions. The molecules of compound2 are compact and their external chain is twisted in a characteristic way (similar to that found in peptides).
Url:
DOI: 10.1007/BF01161345
Affiliations:
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<record><TEI wicri:istexFullTextTei="biblStruct"><teiHeader><fileDesc><titleStmt><title xml:lang="en">Crystal and molecular structures of 1-(2-carboxypropan-2-ylamino)-3-(1-naphthyloxy) propan-2-ol (1) (C17H21NO4) and 1-(2-carbamoyl propan-2-ylamino)-3-(1-naphthyloxy) propan-2-ol (2) (C17H22N2O3)</title><author><name sortKey="Bujacz, G D" sort="Bujacz, G D" uniqKey="Bujacz G" first="G. D." last="Bujacz">G. D. Bujacz</name></author><author><name sortKey="Wieczorek, M W" sort="Wieczorek, M W" uniqKey="Wieczorek M" first="M. W." last="Wieczorek">M. W. Wieczorek</name></author><author><name sortKey="Galas, E" sort="Galas, E" uniqKey="Galas E" first="E." last="Galas">E. Galas</name></author></titleStmt><publicationStmt><idno type="wicri:source">ISTEX</idno><idno type="RBID">ISTEX:FEC81F6DA53607B2F6E692F75A54B9D457B70D9E</idno><date when="1992" year="1992">1992</date><idno type="doi">10.1007/BF01161345</idno><idno type="url">https://api.istex.fr/ark:/67375/1BB-LHB6DL2T-B/fulltext.pdf</idno><idno type="wicri:Area/Istex/Corpus">000863</idno><idno type="wicri:explorRef" wicri:stream="Istex" wicri:step="Corpus" wicri:corpus="ISTEX">000863</idno><idno type="wicri:Area/Istex/Curation">000863</idno><idno type="wicri:Area/Istex/Checkpoint">000D33</idno><idno type="wicri:explorRef" wicri:stream="Istex" wicri:step="Checkpoint">000D33</idno><idno type="wicri:doubleKey">0277-8068:1992:Bujacz G:crystal:and:molecular</idno><idno type="wicri:Area/Main/Merge">002078</idno><idno type="wicri:Area/Main/Curation">001F82</idno><idno type="wicri:Area/Main/Exploration">001F82</idno></publicationStmt><sourceDesc><biblStruct><analytic><title level="a" type="main" xml:lang="en">Crystal and molecular structures of 1-(2-carboxypropan-2-ylamino)-3-(1-naphthyloxy) propan-2-ol (1) (C17H21NO4) and 1-(2-carbamoyl propan-2-ylamino)-3-(1-naphthyloxy) propan-2-ol (2) (C17H22N2O3)</title><author><name sortKey="Bujacz, G D" sort="Bujacz, G D" uniqKey="Bujacz G" first="G. D." last="Bujacz">G. D. Bujacz</name><affiliation wicri:level="1"><country xml:lang="fr">Pologne</country><wicri:regionArea>Institute of Technical Biochemistry, Technical University of Łódź, Stefanowskiego 4/10, 90-924, Łódź</wicri:regionArea><wicri:noRegion>Łódź</wicri:noRegion></affiliation></author><author><name sortKey="Wieczorek, M W" sort="Wieczorek, M W" uniqKey="Wieczorek M" first="M. W." last="Wieczorek">M. W. Wieczorek</name><affiliation wicri:level="1"><country xml:lang="fr">Pologne</country><wicri:regionArea>Institute of Technical Biochemistry, Technical University of Łódź, Stefanowskiego 4/10, 90-924, Łódź</wicri:regionArea><wicri:noRegion>Łódź</wicri:noRegion></affiliation></author><author><name sortKey="Galas, E" sort="Galas, E" uniqKey="Galas E" first="E." last="Galas">E. Galas</name><affiliation wicri:level="1"><country xml:lang="fr">Pologne</country><wicri:regionArea>Institute of Technical Biochemistry, Technical University of Łódź, Stefanowskiego 4/10, 90-924, Łódź</wicri:regionArea><wicri:noRegion>Łódź</wicri:noRegion></affiliation></author></analytic><monogr></monogr><series><title level="j">Journal of Crystallographic and Spectroscopic Research</title><title level="j" type="abbrev">Journal of Crystallographic and Spectroscopic Research</title><idno type="ISSN">0277-8068</idno><idno type="eISSN">1572-8854</idno><imprint><publisher>Kluwer Academic Publishers-Plenum Publishers</publisher><pubPlace>New York</pubPlace><date type="published" when="1992-10-01">1992-10-01</date><biblScope unit="volume">22</biblScope><biblScope unit="issue">5</biblScope><biblScope unit="page" from="591">591</biblScope><biblScope unit="page" to="600">600</biblScope></imprint><idno type="ISSN">0277-8068</idno></series></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0277-8068</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="Teeft" xml:lang="en"><term>Amide</term><term>Amide derivatives</term><term>Amide group</term><term>Amine group</term><term>Anisotropic temperature factors</term><term>Bond angles</term><term>Bond lengths</term><term>Bujacz</term><term>Carbon atoms</term><term>Carboxyl</term><term>Carboxyl group</term><term>Chain length</term><term>Compound</term><term>Crystal data</term><term>Derivative</term><term>Dihedral angles</term><term>Direct methods</term><term>Ester</term><term>Ester derivatives</term><term>Ester group</term><term>Final difference fourier</term><term>Full matrix leastsquares</term><term>Galas table</term><term>Gauche conformation</term><term>General view</term><term>Hydrogen atom</term><term>Hydrogen atoms</term><term>Hydrogen bond</term><term>Hydroxyl</term><term>Hydroxyl group</term><term>Intermolecular hydrogen bonds</term><term>Intramolecular hydrogen bonds</term><term>Largest shift</term><term>Last cycle</term><term>Main chain</term><term>Methyl ester</term><term>Naphthalene</term><term>Naphthalene ring</term><term>Nitrogen atom</term><term>Nitrogen atoms</term><term>Open circles</term><term>Oxomethylene bridge</term><term>Oxygen atom</term><term>Plane plane plane plane</term><term>Planes plane</term><term>Positional parameters</term><term>Refined parameters</term><term>Space group</term><term>Thermal vibrations</term><term>Torsion</term><term>Torsion angle</term><term>Torsion angles</term><term>Unit cell</term><term>Unit weight</term></keywords></textClass><langUsage><language ident="en">en</language></langUsage></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Abstract: The crystal structures of two newβ-adrenergic antagonists, derivatives of propranolol containing 2-methylalanine fragment are described in this paper. The space groups and unit-cell parameters are: compound1 (C17H21NO4): monoclinic, space groupP21/n,a=5.787(1),b=18.703(4),c=23.526(5)Å,β=96.49(2)°; compound2 (C17H22N2O3): triclinic, space groupP¯1,a=8.321(1),b=10.121(1),c=10.368(1)Å,α=109.49(1)°,β=90.49(1)°, γ=103.48(1)°. The structures were solved by direct methods and refined with full matrix least-squares techniques toR indices of 0.055 and 0.049, respectively. The molecules of compound1 exist in the crystal as dual ions. The molecules of compound2 are compact and their external chain is twisted in a characteristic way (similar to that found in peptides).</div></front></TEI><affiliations><list><country><li>Pologne</li></country></list><tree><country name="Pologne"><noRegion><name sortKey="Bujacz, G D" sort="Bujacz, G D" uniqKey="Bujacz G" first="G. D." last="Bujacz">G. D. Bujacz</name></noRegion><name sortKey="Galas, E" sort="Galas, E" uniqKey="Galas E" first="E." last="Galas">E. Galas</name><name sortKey="Wieczorek, M W" sort="Wieczorek, M W" uniqKey="Wieczorek M" first="M. W." last="Wieczorek">M. W. Wieczorek</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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