Journal Article
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Acta crystallographica.Section E, Structure reports online
Acta Crystallogr.Sect.E.Struct.Rep.Online
4-Oct
70
Pt 11
286
289
LR: 20141215; JID: 101089178; OID: NLM: PMC4257300; OTO: NOTNLM; 2014/11/01 [ecollection]; 2014/09/19 [received]; 2014/09/26 [accepted]; 2014/10/04 [epublish]; epublish
United States
1600-5368; 1600-5368
PMID: 25484724
eng
Journal Article
10.1107/S1600536814021436 [doi]
Unknown(0)
25484724
The title compound, [Ni(C4H5N4O2)2(H2O)2].2H2O, represents the first transition metal complex of the novel chelating triazole ligand, 2-(5-amino-1H-1,2,4-triazol-3-yl)acetic acid (ATAA), to be structurally characterized. In the mol-ecule of the title complex, the nickel(II) cation is located on an inversion centre and is coordinated by two water mol-ecules in axial positions and two O and two N atoms from two trans-oriented chelating anions of the deprotonated ATAA ligand, forming a slightly distorted octa-hedron. The trans angles of the octa-hedron are all 180 degrees due to the inversion symmetry of the mol-ecule. The cis-angles are in the range 87.25 (8)-92.75 (8) degrees . The six-membered chelate ring adopts a slightly twisted boat conformation with puckering parameters Q = 0.542 (2) A, Theta = 88.5 (2) and varphi = 15.4 (3) degrees . The mol-ecular conformation is stabilized by intra-molecular N-Hcdots, three dots, centeredO hydrogen bonds between the amino group and the chelating carboxyl-ate O atom of two trans-oriented ligands. In the crystal, the complex mol-ecules and lattice water mol-ecules are linked into a three-dimensional framework by an extensive network of N-Hcdots, three dots, centeredO, O-Hcdots, three dots, centeredO and O-Hcdots, three dots, centeredN hydrogen bonds.
Chernyshev,V.M., Chernysheva,A.V., Abagyan,R.S., Rybakov,V.B.
South-Russia State Technical University Prosveschenya, 132, Novocherkassk, Rostov Region, 346428, Russian Federation.; South-Russia State Technical University Prosveschenya, 132, Novocherkassk, Rostov Region, 346428, Russian Federation.; South-Russia Stat
20141004
PMC4257300
http://vp9py7xf3h.search.serialssolutions.com/?charset=utf-8&pmid=25484724
2014