Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ2 O:O-bis(diaquasodium) tetraphenylborate dihydrate pyrazine N,N′-dioxide monosolvate
The crystal structure of the title compound contains discrete [{Na(H 2 O) 2 } 2 (μ-H 2 O) 2 (μ-pzdo)] 2+ (pzdo is pyrazine N , N ′-dioxide) cations, tetraphenylborate anions and uncoordinating water and pzdo molecules, held together by various hydrogen-bonding and C—H⋯π and O—H⋯π interactions. T...
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Veröffentlicht in: | Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2015-11, Vol.71 (Pt 12), p.1467-1470 |
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container_title | Acta crystallographica. Section E, Crystallographic communications |
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creator | Boron, Elaine P. Carter, Kelsey K. Knaust, Jacqueline M. |
description | The crystal structure of the title compound contains discrete [{Na(H
2
O)
2
}
2
(μ-H
2
O)
2
(μ-pzdo)]
2+
(pzdo is pyrazine
N
,
N
′-dioxide) cations, tetraphenylborate anions and uncoordinating water and pzdo molecules, held together by various hydrogen-bonding and C—H⋯π and O—H⋯π interactions.
The search for novel lanthanide coordination networks using pyrazine
N,N′
-dioxide (pzdo, C
4
H
4
N
2
O
2
) as a structure-directing unit, led to the synthesis and the structure determination of the title compound, [Na
2
(C
4
H
4
N
2
O
2
)(H
2
O)
6
][B(C
6
H
5
)
4
]
2
·C
4
H
4
N
2
O
2
·2H
2
O. The crystal structure is comprised of discrete [{Na(H
2
O)
2
}
2
(μ-H
2
O)
2
(μ-pzdo)]
2+
cations and tetraphenylborate anions, as well as pzdo and H
2
O solvent molecules. The dinuclear cation is located about a twofold rotation axis, and the symmetry-related Na
I
atoms display a distorted square-pyramidal coordination sphere defined by two O atoms of terminal water ligands, two O atoms of bridging water ligands and one O atom of a bridging pzdo ligand. In the crystal, O—H⋯O hydrogen bonds link the dinuclear cation and solvent pzdo molecules (point-group symmetry -1) into rectangular grid-like layers parallel to the
bc
plane. Additional C—H⋯O, O—H⋯O, C—H⋯π and O—H⋯π interactions link the anion and solvent water molecules to the layers. The layers are further linked into a three-dimensional network through a combination of C—H⋯π and O—H⋯π hydrogen bonds involving the tetraphenylborate anion. |
doi_str_mv | 10.1107/S205698901502071X |
format | Article |
fullrecord | <record><control><sourceid>pubmedcentral</sourceid><recordid>TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_4719815</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>pubmedcentral_primary_oai_pubmedcentral_nih_gov_4719815</sourcerecordid><originalsourceid>FETCH-pubmedcentral_primary_oai_pubmedcentral_nih_gov_47198153</originalsourceid><addsrcrecordid>eNqljb1OwzAUhS0kRCvoA7B5bCUM12l-GVgqEFM7wMAWObVLjJw42E5FmHgUXiALI2LKA_QheBISxMLAxHTOPffc7yJ0TOGUUojObjwIwiROgAbgQUTv9tB4iMiQjdDE2gcAoH4wDwPvAI28MI7Ah3CMXhemsY4pbJ2p1642AusN5pLsPgh7rNmg06ox7FmWAi9Plp8vb4RL_SS5mJHdu4dX5yuSSdu1Uy67drjpWqu5rIsZdsKZfqxyUTaqazNtmBM9PW_4t_sDjAtdaqvVtu8cof0NU1ZMfvQQXVxd3i6uSVVnheBrUfYvVFoZWTDTpJrJ9PemlHl6r7epH9EkpsH834AvEyqCUQ</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ2 O:O-bis(diaquasodium) tetraphenylborate dihydrate pyrazine N,N′-dioxide monosolvate</title><source>DOAJ Directory of Open Access Journals</source><source>PubMed Central</source><source>Free Full-Text Journals in Chemistry</source><source>PubMed Central Open Access</source><creator>Boron, Elaine P. ; Carter, Kelsey K. ; Knaust, Jacqueline M.</creator><creatorcontrib>Boron, Elaine P. ; Carter, Kelsey K. ; Knaust, Jacqueline M.</creatorcontrib><description>The crystal structure of the title compound contains discrete [{Na(H
2
O)
2
}
2
(μ-H
2
O)
2
(μ-pzdo)]
2+
(pzdo is pyrazine
N
,
N
′-dioxide) cations, tetraphenylborate anions and uncoordinating water and pzdo molecules, held together by various hydrogen-bonding and C—H⋯π and O—H⋯π interactions.
The search for novel lanthanide coordination networks using pyrazine
N,N′
-dioxide (pzdo, C
4
H
4
N
2
O
2
) as a structure-directing unit, led to the synthesis and the structure determination of the title compound, [Na
2
(C
4
H
4
N
2
O
2
)(H
2
O)
6
][B(C
6
H
5
)
4
]
2
·C
4
H
4
N
2
O
2
·2H
2
O. The crystal structure is comprised of discrete [{Na(H
2
O)
2
}
2
(μ-H
2
O)
2
(μ-pzdo)]
2+
cations and tetraphenylborate anions, as well as pzdo and H
2
O solvent molecules. The dinuclear cation is located about a twofold rotation axis, and the symmetry-related Na
I
atoms display a distorted square-pyramidal coordination sphere defined by two O atoms of terminal water ligands, two O atoms of bridging water ligands and one O atom of a bridging pzdo ligand. In the crystal, O—H⋯O hydrogen bonds link the dinuclear cation and solvent pzdo molecules (point-group symmetry -1) into rectangular grid-like layers parallel to the
bc
plane. Additional C—H⋯O, O—H⋯O, C—H⋯π and O—H⋯π interactions link the anion and solvent water molecules to the layers. The layers are further linked into a three-dimensional network through a combination of C—H⋯π and O—H⋯π hydrogen bonds involving the tetraphenylborate anion.</description><identifier>EISSN: 2056-9890</identifier><identifier>DOI: 10.1107/S205698901502071X</identifier><identifier>PMID: 26870406</identifier><language>eng</language><publisher>International Union of Crystallography</publisher><subject>Research Communications</subject><ispartof>Acta crystallographica. Section E, Crystallographic communications, 2015-11, Vol.71 (Pt 12), p.1467-1470</ispartof><rights>Boron et al. 2015 2015</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719815/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719815/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,723,776,780,860,881,27901,27902,53766,53768</link.rule.ids></links><search><creatorcontrib>Boron, Elaine P.</creatorcontrib><creatorcontrib>Carter, Kelsey K.</creatorcontrib><creatorcontrib>Knaust, Jacqueline M.</creatorcontrib><title>Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ2 O:O-bis(diaquasodium) tetraphenylborate dihydrate pyrazine N,N′-dioxide monosolvate</title><title>Acta crystallographica. Section E, Crystallographic communications</title><description>The crystal structure of the title compound contains discrete [{Na(H
2
O)
2
}
2
(μ-H
2
O)
2
(μ-pzdo)]
2+
(pzdo is pyrazine
N
,
N
′-dioxide) cations, tetraphenylborate anions and uncoordinating water and pzdo molecules, held together by various hydrogen-bonding and C—H⋯π and O—H⋯π interactions.
The search for novel lanthanide coordination networks using pyrazine
N,N′
-dioxide (pzdo, C
4
H
4
N
2
O
2
) as a structure-directing unit, led to the synthesis and the structure determination of the title compound, [Na
2
(C
4
H
4
N
2
O
2
)(H
2
O)
6
][B(C
6
H
5
)
4
]
2
·C
4
H
4
N
2
O
2
·2H
2
O. The crystal structure is comprised of discrete [{Na(H
2
O)
2
}
2
(μ-H
2
O)
2
(μ-pzdo)]
2+
cations and tetraphenylborate anions, as well as pzdo and H
2
O solvent molecules. The dinuclear cation is located about a twofold rotation axis, and the symmetry-related Na
I
atoms display a distorted square-pyramidal coordination sphere defined by two O atoms of terminal water ligands, two O atoms of bridging water ligands and one O atom of a bridging pzdo ligand. In the crystal, O—H⋯O hydrogen bonds link the dinuclear cation and solvent pzdo molecules (point-group symmetry -1) into rectangular grid-like layers parallel to the
bc
plane. Additional C—H⋯O, O—H⋯O, C—H⋯π and O—H⋯π interactions link the anion and solvent water molecules to the layers. The layers are further linked into a three-dimensional network through a combination of C—H⋯π and O—H⋯π hydrogen bonds involving the tetraphenylborate anion.</description><subject>Research Communications</subject><issn>2056-9890</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2015</creationdate><recordtype>article</recordtype><recordid>eNqljb1OwzAUhS0kRCvoA7B5bCUM12l-GVgqEFM7wMAWObVLjJw42E5FmHgUXiALI2LKA_QheBISxMLAxHTOPffc7yJ0TOGUUojObjwIwiROgAbgQUTv9tB4iMiQjdDE2gcAoH4wDwPvAI28MI7Ah3CMXhemsY4pbJ2p1642AusN5pLsPgh7rNmg06ox7FmWAi9Plp8vb4RL_SS5mJHdu4dX5yuSSdu1Uy67drjpWqu5rIsZdsKZfqxyUTaqazNtmBM9PW_4t_sDjAtdaqvVtu8cof0NU1ZMfvQQXVxd3i6uSVVnheBrUfYvVFoZWTDTpJrJ9PemlHl6r7epH9EkpsH834AvEyqCUQ</recordid><startdate>20151107</startdate><enddate>20151107</enddate><creator>Boron, Elaine P.</creator><creator>Carter, Kelsey K.</creator><creator>Knaust, Jacqueline M.</creator><general>International Union of Crystallography</general><scope>5PM</scope></search><sort><creationdate>20151107</creationdate><title>Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ2 O:O-bis(diaquasodium) tetraphenylborate dihydrate pyrazine N,N′-dioxide monosolvate</title><author>Boron, Elaine P. ; Carter, Kelsey K. ; Knaust, Jacqueline M.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-pubmedcentral_primary_oai_pubmedcentral_nih_gov_47198153</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2015</creationdate><topic>Research Communications</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Boron, Elaine P.</creatorcontrib><creatorcontrib>Carter, Kelsey K.</creatorcontrib><creatorcontrib>Knaust, Jacqueline M.</creatorcontrib><collection>PubMed Central (Full Participant titles)</collection><jtitle>Acta crystallographica. Section E, Crystallographic communications</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Boron, Elaine P.</au><au>Carter, Kelsey K.</au><au>Knaust, Jacqueline M.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ2 O:O-bis(diaquasodium) tetraphenylborate dihydrate pyrazine N,N′-dioxide monosolvate</atitle><jtitle>Acta crystallographica. Section E, Crystallographic communications</jtitle><date>2015-11-07</date><risdate>2015</risdate><volume>71</volume><issue>Pt 12</issue><spage>1467</spage><epage>1470</epage><pages>1467-1470</pages><eissn>2056-9890</eissn><abstract>The crystal structure of the title compound contains discrete [{Na(H
2
O)
2
}
2
(μ-H
2
O)
2
(μ-pzdo)]
2+
(pzdo is pyrazine
N
,
N
′-dioxide) cations, tetraphenylborate anions and uncoordinating water and pzdo molecules, held together by various hydrogen-bonding and C—H⋯π and O—H⋯π interactions.
The search for novel lanthanide coordination networks using pyrazine
N,N′
-dioxide (pzdo, C
4
H
4
N
2
O
2
) as a structure-directing unit, led to the synthesis and the structure determination of the title compound, [Na
2
(C
4
H
4
N
2
O
2
)(H
2
O)
6
][B(C
6
H
5
)
4
]
2
·C
4
H
4
N
2
O
2
·2H
2
O. The crystal structure is comprised of discrete [{Na(H
2
O)
2
}
2
(μ-H
2
O)
2
(μ-pzdo)]
2+
cations and tetraphenylborate anions, as well as pzdo and H
2
O solvent molecules. The dinuclear cation is located about a twofold rotation axis, and the symmetry-related Na
I
atoms display a distorted square-pyramidal coordination sphere defined by two O atoms of terminal water ligands, two O atoms of bridging water ligands and one O atom of a bridging pzdo ligand. In the crystal, O—H⋯O hydrogen bonds link the dinuclear cation and solvent pzdo molecules (point-group symmetry -1) into rectangular grid-like layers parallel to the
bc
plane. Additional C—H⋯O, O—H⋯O, C—H⋯π and O—H⋯π interactions link the anion and solvent water molecules to the layers. The layers are further linked into a three-dimensional network through a combination of C—H⋯π and O—H⋯π hydrogen bonds involving the tetraphenylborate anion.</abstract><pub>International Union of Crystallography</pub><pmid>26870406</pmid><doi>10.1107/S205698901502071X</doi><oa>free_for_read</oa></addata></record> |
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ispartof | Acta crystallographica. Section E, Crystallographic communications, 2015-11, Vol.71 (Pt 12), p.1467-1470 |
issn | 2056-9890 |
language | eng |
recordid | cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_4719815 |
source | DOAJ Directory of Open Access Journals; PubMed Central; Free Full-Text Journals in Chemistry; PubMed Central Open Access |
subjects | Research Communications |
title | Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ2 O:O-bis(diaquasodium) tetraphenylborate dihydrate pyrazine N,N′-dioxide monosolvate |
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