Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine
Identifieur interne : 001C96 ( Main/Exploration ); précédent : 001C95; suivant : 001C97Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine
Auteurs : Joel T. Mague [États-Unis] ; Shaaban K. Mohamed [Égypte] ; Mehmet Akkurt [Turquie] ; Talaat I. El-Emary [Égypte] ; Mustafa R. Albayati [Iraq]Source :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2014.
Abstract
The title compound, C15H14N4O, crystallizes with two molecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first molecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrole rings are 42.69 (8) and 51.88 (6)°, respectively, with corresponding angles of 54.49 (7) and 49.61 (9)°, respectively, in the second molecule. In the crystal, the two molecules, together with their inversion-symmetry counterparts, are linked into tetramers by O—H⋯N hydrogen bonds. The tetramers form layers parallel to (211) through pairwise C—H⋯π interactions.
Url:
DOI: 10.1107/S1600536814023514
PubMed: 25484837
PubMed Central: 4257281
Affiliations:
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Mague</name><affiliation wicri:level="1"><nlm:aff id="a">Department of Chemistry, Tulane University, New Orleans, LA 70118,<country>USA</country></nlm:aff><country xml:lang="fr">États-Unis</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Mohamed, Shaaban K" sort="Mohamed, Shaaban K" uniqKey="Mohamed S" first="Shaaban K." last="Mohamed">Shaaban K. Mohamed</name><affiliation><nlm:aff id="b">Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD,<country>England</country></nlm:aff><wicri:noCountry code="nlm country">England</wicri:noCountry></affiliation><affiliation wicri:level="1"><nlm:aff id="c">Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia,<country>Egypt</country></nlm:aff><country xml:lang="fr">Égypte</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Akkurt, Mehmet" sort="Akkurt, Mehmet" uniqKey="Akkurt M" first="Mehmet" last="Akkurt">Mehmet Akkurt</name><affiliation wicri:level="1"><nlm:aff id="d">Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri,<country>Turkey</country></nlm:aff><country xml:lang="fr">Turquie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="El Emary, Talaat I" sort="El Emary, Talaat I" uniqKey="El Emary T" first="Talaat I." last="El-Emary">Talaat I. El-Emary</name><affiliation wicri:level="1"><nlm:aff id="e">Department of Chemistry, Faculty of Science, Assiut University, 71515 Assiut,<country>Egypt</country></nlm:aff><country xml:lang="fr">Égypte</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Albayati, Mustafa R" sort="Albayati, Mustafa R" uniqKey="Albayati M" first="Mustafa R." last="Albayati">Mustafa R. Albayati</name><affiliation wicri:level="1"><nlm:aff id="f">Kirkuk University, College of Science, Department of Chemistry, Kirkuk,<country>Iraq</country></nlm:aff><country xml:lang="fr">Iraq</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title><idno type="eISSN">1600-5368</idno><imprint><date when="2014">2014</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>The title compound, C<sub>15</sub>H<sub>14</sub>N<sub>4</sub>O, crystallizes with two molecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first molecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrole rings are 42.69 (8) and 51.88 (6)°, respectively, with corresponding angles of 54.49 (7) and 49.61 (9)°, respectively, in the second molecule. In the crystal, the two molecules, together with their inversion-symmetry counterparts, are linked into tetramers by O—H⋯N hydrogen bonds. The tetramers form layers parallel to (211) through pairwise C—H⋯π interactions.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct></listBibl></div1></back></TEI><affiliations><list><country><li>Iraq</li><li>Turquie</li><li>Égypte</li><li>États-Unis</li></country></list><tree><country name="États-Unis"><noRegion><name sortKey="Mague, Joel T" sort="Mague, Joel T" uniqKey="Mague J" first="Joel T." last="Mague">Joel T. Mague</name></noRegion></country><country name="Égypte"><noRegion><name sortKey="Mohamed, Shaaban K" sort="Mohamed, Shaaban K" uniqKey="Mohamed S" first="Shaaban K." last="Mohamed">Shaaban K. Mohamed</name></noRegion><name sortKey="El Emary, Talaat I" sort="El Emary, Talaat I" uniqKey="El Emary T" first="Talaat I." last="El-Emary">Talaat I. El-Emary</name></country><country name="Turquie"><noRegion><name sortKey="Akkurt, Mehmet" sort="Akkurt, Mehmet" uniqKey="Akkurt M" first="Mehmet" last="Akkurt">Mehmet Akkurt</name></noRegion></country><country name="Iraq"><noRegion><name sortKey="Albayati, Mustafa R" sort="Albayati, Mustafa R" uniqKey="Albayati M" first="Mustafa R." last="Albayati">Mustafa R. Albayati</name></noRegion></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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