Ethyl 6-methyl-2-oxo-4-[4-(1H-tetra-zol-5-yl)phen-yl]-1,2,3,4-tetra-hydro-pyrimidine-5- carboxyl-ate-di-methyl-formamide-water (2/1/1)

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Acta crystallographica.Section E, Structure reports online

Acta Crystallogr.Sect.E.Struct.Rep.Online

4-Dec

Pt 1

LR: 20140217; JID: 101089178; OID: NLM: PMC3914044; 2014/01/01 [ecollection]; 2013/11/19 [received]; 2013/11/26 [accepted]; 2013/12/04 [epublish]; epublish

United States

1600-5368; 1600-5368

PMID: 24526960

eng

Journal Article

10.1107/S1600536813032224 [doi]

Unknown(0)

24526960

The asymmetric unit of the title compound, 2C15H16N6O3.C3H7NO.H2O, contains two independent ethyl 6-methyl-2-oxo-4-[4-(1H-tetra-zol-5-yl)phen-yl]-1,2,3,4-tetra-hydro-pyrim-id-ine- 5-carboxyl-ate mol-ecules, in which the dihedral angles between the tetra-zole and benzene rings are 20.54 (12) and 12.13 (12) degrees . An intra-molecular C-Hcdots, three dots, centeredO hydrogen bond occurs in each mol-ecule. In the crystal, N-Hcdots, three dots, centeredO, N-Hcdots, three dots, centeredN, O-Hcdots, three dots, centeredO and O-Hcdots, three dots, centeredN hydrogen bonds, as well as weak C-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredN hydrogen bonds, link the mol-ecules into a three-dimensional supra-molecular architecture. pi-pi stacking is also observed between parallel tetra-zole rings of adjacent mol-ecules, the centroid-centroid distance being 3.482 (6) A.

Ouyang,H.Y., Chang,Y.Q., Zhao,L.

Department of Chemical Engineering, Nanjing College of Chemical Technology, Nanjing 210048, People's Republic of China.; Department of Applied Chemistry, Nanjing College of Chemical Technology, Nanjing 210048, People's Republic of China.; Department of Ap

20131204

PMC3914044

http://vp9py7xf3h.search.serialssolutions.com/?charset=utf-8&pmid=24526960

2013