Crystal structure of catena-poly[[aquabis(4-formyl-benzoato)-?2O1,O1?; ?O1 -zinc]-?-pyrazine-?2N: N?]

Basit Öğe Kaydı
dc.authoridHokelek, Tuncer -- 0000-0002-8602-4382; Ozcelik, Nefise -- 0000-0002-6972-1071;
dc.contributor.authorAşkın, Gülçin Şefiye
dc.contributor.authorÇelik, Fatih
dc.contributor.authorDilek Özçelik, Nefise
dc.contributor.authorNecefoğlu, Hacali
dc.contributor.authorHökelek, Tuncer
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-16T09:19:03Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-16T09:19:03Z
dc.date.issued2015
dc.departmentSabire Yazıcı Fen-Edebiyat Fakültesi
dc.description.abstractThe asymmetric unit of the title polymeric compound, [Zn(C8H5O3)(2)(C4H4N2)(H2O)](n), contains two molecular units. Each unit comprises two 4-formylbenzoate (FB) anions, one pyrazine molecule and one coordinating water molecule; the FB anions act either as bidentate or as monodentate ligands. The O atoms of the bidentately coordinating FB anions are disordered over two positions, and they were refined with fixed occupancy ratios of 0.75:0.25 and 0.70:0.30, respectively. In the ordered monodentately coordinating FB anions, the carboxylate groups are twisted away from the attached benzene rings (B and E) by 12.1 (2) and 9.2 (2)degrees, respectively. In the disordered FB anions, the corresponding angles are 14.1 (1) and 4.0 (2)degrees for benzene rings A and D, respectively. Benzene rings A and B are oriented at a dihedral angle of 45.7 (1)degrees, D and E at 23.2 (1)degrees. Pyrazine ring C makes dihedral angles of 85.6 (1) and 72.7 (1)degrees, respectively, with benzene rings A and B, and pyrazine ring F makes dihedral angles of 87.0 (1) and 81.3 (1)degrees with benzene rings D and E, respectively. The pyrazine ligands bridge the Zn-II cations, forming polymeric chains running parallel to the b-axis direction. Mediumstrength intramolecular O-H center dot center dot center dot O hydrogen bonds link the water molecules to the carboxylate O atoms. In the crystal, water-carboxylate O-H center dot center dot center dot O hydrogen bonds link adjacent chains into layers parallel to the bc plane. The layers are linked via weak pyrazine-formyl C-H center dot center dot center dot O and formyl-carboxylate C-H center dot center dot center dot O hydrogen bonds. pi-pi contacts between the benzene rings, with centroid-to-centroid distances of 3.7765 (16), 3.7905 (15) and 3.8231 (16) angstrom, may further stabilize the structure. There are also weak C-H center dot center dot center dot pi interactions present.
dc.description.sponsorshipState of Planning Organization [2010K120480]; Kafkas University [2012-FEF-12]
dc.description.sponsorshipThe authors acknowledge the Aksaray University Science and Technology Application and Research Center, Aksaray, Turkey, for the use of the Bruker SMART BREEZE CCD diffractometer (purchased under grant No. 2010K120480 of the State of Planning Organization). This work was supported financially by Kafkas University Research Fund (grant No. 2012-FEF-12).
dc.identifier.doi10.1107/S2056989015005472
dc.identifier.endpage+en_US
dc.identifier.issn2056-9890
dc.identifier.pmid26029401
dc.identifier.scopusqualityQ3
dc.identifier.startpage402en_US
dc.identifier.urihttps://doi.org/10.1107/S2056989015005472
dc.identifier.urihttps://hdl.handle.net/20.500.12451/4950
dc.identifier.volume71en_US
dc.identifier.wosWOS:000369975800062
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherInternational Union of Crystallography
dc.relation.ispartofActa Crystallographica Section E: Crystallographic Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectCrystal Structure
dc.subjectZinc
dc.subjectTransition Metal Complexes of Benzoic Acid Derivatives
dc.subjectHydrogen Bonding
dc.subjectPi-Pi Interactions
dc.subjectHydrogen Bonding
dc.titleCrystal structure of catena-poly[[aquabis(4-formyl-benzoato)-?2O1,O1?; ?O1 -zinc]-?-pyrazine-?2N: N?]
dc.typeArticle

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim
İsim:
askin-gulcin sefiye-2015.pdf
Boyut:
879.08 KB
Biçim:
Adobe Portable Document Format
Açıklama:
Tam Metin / Full Text
İndir

Koleksiyon

Makale Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu
WoS İndeksli Yayınlar Koleksiyonu