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Synthesis and crystal structure of catena -bis(nicotinamide)aqua(μ-phthalato)copper(II) hemihydrate

Identifieur interne : 001097 ( Istex/Corpus ); précédent : 001096; suivant : 001098

Synthesis and crystal structure of catena -bis(nicotinamide)aqua(μ-phthalato)copper(II) hemihydrate

Auteurs : G. G. Sadikov ; T. V. Koksharova ; A. S. Antsyshkina ; I. S. Gritsenko ; V. S. Sergienko

Source :

RBID : ISTEX:FE0BE430D769A1DAEB580D1551696A812CA26697

English descriptors

Abstract

Abstract: The copper(II) phthalate complex with nicotinamide [CuL 2(μ-Pht)(H2O)] · 0.5H2O(I) (where L is nicotinamide and Pht 2− is an anion of phthalic acid) is synthesized and investigated using IR spectroscopy and X-ray diffraction. The crystals of compound I are monoclinic, a = 13.368(2) Å, b = 7.891(3) Å, c = 20.480(2) Å, β = 108.69(2)°, Z = 4, and space group P21/c. The structural units of crystal I are linear chains formed by bridging phthalate anions and crystallization water molecules. The copper atom is coordinated by two pyridine nitrogen atoms of two nicotinamide ligands (Cu-N, 2.001 and 2.045 Å), two oxygen atoms of different phthalate anions (Cu-O, 1.964 and 2.235 Å), and the oxygen atom of the H2 O molecule (Cu-O, 2.014 Å). The coordination polyhedron of the copper atom is completed to an elongated (4 + 1 + 1) tetragonal bipyramid by the second (chelating) oxygen atom of the carboxyl group (Cu-O, 2.587 Å), which is one of the anions of phthalic acid. The linear polymer molecules are joined into complex macromolecular dimers with the closest internal contacts of the specific type. The macromolecular dimers are the main supramolecular ensembles of the crystal structure.

Url:
DOI: 10.1134/S1063774508040135

Links to Exploration step

ISTEX:FE0BE430D769A1DAEB580D1551696A812CA26697

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<Author AffiliationIDS="Aff1" CorrespondingAffiliationID="Aff1">
<AuthorName DisplayOrder="Western">
<GivenName>G.</GivenName>
<GivenName>G.</GivenName>
<FamilyName>Sadikov</FamilyName>
</AuthorName>
<Contact>
<Email>sadgg@igic.ras.ru</Email>
</Contact>
</Author>
<Author AffiliationIDS="Aff2">
<AuthorName DisplayOrder="Western">
<GivenName>T.</GivenName>
<GivenName>V.</GivenName>
<FamilyName>Koksharova</FamilyName>
</AuthorName>
</Author>
<Author AffiliationIDS="Aff1">
<AuthorName DisplayOrder="Western">
<GivenName>A.</GivenName>
<GivenName>S.</GivenName>
<FamilyName>Antsyshkina</FamilyName>
</AuthorName>
</Author>
<Author AffiliationIDS="Aff2">
<AuthorName DisplayOrder="Western">
<GivenName>I.</GivenName>
<GivenName>S.</GivenName>
<FamilyName>Gritsenko</FamilyName>
</AuthorName>
</Author>
<Author AffiliationIDS="Aff1">
<AuthorName DisplayOrder="Western">
<GivenName>V.</GivenName>
<GivenName>S.</GivenName>
<FamilyName>Sergienko</FamilyName>
</AuthorName>
</Author>
<Affiliation ID="Aff1">
<OrgDivision>Kurnakov Institute of General and Inorganic Chemistry</OrgDivision>
<OrgName>Russian Academy of Sciences</OrgName>
<OrgAddress>
<Street>Leninskiĭ pr. 31</Street>
<City>Moscow</City>
<Postcode>119991</Postcode>
<Country Code="RU">Russia</Country>
</OrgAddress>
</Affiliation>
<Affiliation ID="Aff2">
<OrgName>Odessa National University</OrgName>
<OrgAddress>
<Street>Dvoryanskaya ul. 2</Street>
<City>Odessa</City>
<Postcode>65026</Postcode>
<Country Code="UA">Ukraine</Country>
</OrgAddress>
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<Abstract ID="Abs1" Language="En">
<Heading>Abstract</Heading>
<Para>The copper(II) phthalate complex with nicotinamide [Cu
<Emphasis Type="Italic">L</Emphasis>
<Subscript>2</Subscript>
(μ-
<Emphasis Type="Italic">Pht</Emphasis>
)(H
<Subscript>2</Subscript>
O)] · 0.5H
<Subscript>2</Subscript>
O(
<Emphasis Type="Bold">I</Emphasis>
) (where
<Emphasis Type="Italic">L</Emphasis>
is nicotinamide and
<Emphasis Type="Italic">Pht</Emphasis>
<Superscript>2−</Superscript>
is an anion of phthalic acid) is synthesized and investigated using IR spectroscopy and X-ray diffraction. The crystals of compound
<Emphasis Type="Bold">I</Emphasis>
are monoclinic,
<Emphasis Type="Italic">a</Emphasis>
= 13.368(2) Å,
<Emphasis Type="Italic">b</Emphasis>
= 7.891(3) Å,
<Emphasis Type="Italic">c</Emphasis>
= 20.480(2) Å, β = 108.69(2)°,
<Emphasis Type="Italic">Z</Emphasis>
= 4, and space group
<Emphasis Type="Italic">P</Emphasis>
2
<Subscript>1</Subscript>
/
<Emphasis Type="Italic">c</Emphasis>
. The structural units of crystal
<Emphasis Type="Bold">I</Emphasis>
are linear chains formed by bridging phthalate anions and crystallization water molecules. The copper atom is coordinated by two pyridine nitrogen atoms of two nicotinamide ligands (Cu-N, 2.001 and 2.045 Å), two oxygen atoms of different phthalate anions (Cu-O, 1.964 and 2.235 Å), and the oxygen atom of the H
<Subscript>2</Subscript>
O molecule (Cu-O, 2.014 Å). The coordination polyhedron of the copper atom is completed to an elongated (4 + 1 + 1) tetragonal bipyramid by the second (chelating) oxygen atom of the carboxyl group (Cu-O, 2.587 Å), which is one of the anions of phthalic acid. The linear polymer molecules are joined into complex macromolecular dimers with the closest internal contacts of the specific type. The macromolecular dimers are the main supramolecular ensembles of the crystal structure.</Para>
</Abstract>
<KeywordGroup Language="En">
<Heading>PACS numbers</Heading>
<Keyword>61.66.Hq</Keyword>
</KeywordGroup>
<ArticleNote Type="Misc">
<SimplePara>Original Russian Text © G.G. Sadikov, T.V. Koksharova, A.S. Antsyshkina, I.S. Gritsenko, V.S. Sergienko, 2008, published in Kristallografiya, 2008, Vol. 53, No. 4, pp. 668–675.</SimplePara>
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<title>Synthesis and crystal structure of catena -bis(nicotinamide)aqua(μ-phthalato)copper(II) hemihydrate</title>
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<title>Synthesis and crystal structure of catena -bis(nicotinamide)aqua(μ-phthalato)copper(II) hemihydrate</title>
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<affiliation>Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskiĭ pr. 31, 119991, Moscow, Russia</affiliation>
<affiliation>E-mail: sadgg@igic.ras.ru</affiliation>
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<name type="personal">
<namePart type="given">T.</namePart>
<namePart type="given">V.</namePart>
<namePart type="family">Koksharova</namePart>
<affiliation>Odessa National University, Dvoryanskaya ul. 2, 65026, Odessa, Ukraine</affiliation>
<role>
<roleTerm type="text">author</roleTerm>
</role>
</name>
<name type="personal">
<namePart type="given">A.</namePart>
<namePart type="given">S.</namePart>
<namePart type="family">Antsyshkina</namePart>
<affiliation>Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskiĭ pr. 31, 119991, Moscow, Russia</affiliation>
<role>
<roleTerm type="text">author</roleTerm>
</role>
</name>
<name type="personal">
<namePart type="given">I.</namePart>
<namePart type="given">S.</namePart>
<namePart type="family">Gritsenko</namePart>
<affiliation>Odessa National University, Dvoryanskaya ul. 2, 65026, Odessa, Ukraine</affiliation>
<role>
<roleTerm type="text">author</roleTerm>
</role>
</name>
<name type="personal">
<namePart type="given">V.</namePart>
<namePart type="given">S.</namePart>
<namePart type="family">Sergienko</namePart>
<affiliation>Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskiĭ pr. 31, 119991, Moscow, Russia</affiliation>
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<place>
<placeTerm type="text">Dordrecht</placeTerm>
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<dateCreated encoding="w3cdtf">2007-05-25</dateCreated>
<dateIssued encoding="w3cdtf">2008-07-01</dateIssued>
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<abstract lang="en">Abstract: The copper(II) phthalate complex with nicotinamide [CuL 2(μ-Pht)(H2O)] · 0.5H2O(I) (where L is nicotinamide and Pht 2− is an anion of phthalic acid) is synthesized and investigated using IR spectroscopy and X-ray diffraction. The crystals of compound I are monoclinic, a = 13.368(2) Å, b = 7.891(3) Å, c = 20.480(2) Å, β = 108.69(2)°, Z = 4, and space group P21/c. The structural units of crystal I are linear chains formed by bridging phthalate anions and crystallization water molecules. The copper atom is coordinated by two pyridine nitrogen atoms of two nicotinamide ligands (Cu-N, 2.001 and 2.045 Å), two oxygen atoms of different phthalate anions (Cu-O, 1.964 and 2.235 Å), and the oxygen atom of the H2 O molecule (Cu-O, 2.014 Å). The coordination polyhedron of the copper atom is completed to an elongated (4 + 1 + 1) tetragonal bipyramid by the second (chelating) oxygen atom of the carboxyl group (Cu-O, 2.587 Å), which is one of the anions of phthalic acid. The linear polymer molecules are joined into complex macromolecular dimers with the closest internal contacts of the specific type. The macromolecular dimers are the main supramolecular ensembles of the crystal structure.</abstract>
<note>Structure of Organic Compounds</note>
<subject lang="en">
<genre>PACS numbers</genre>
<topic>61.66.Hq</topic>
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<dateIssued encoding="w3cdtf">2008-07-28</dateIssued>
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<subject>
<genre>Physics</genre>
<topic>Crystallography</topic>
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<identifier type="ISSN">1063-7745</identifier>
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<date>2008</date>
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