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Crystal structure of (2-amino-7-methyl-4-oxido­pteridine-6-carboxyl­ato-κ(3) O (4),N (5),O (6))aqua­(1,10-phenanthroline-κ(2) N,N′)copper(II) trihydrate

In the title compound, [Cu(C(8)H(5)N(5)O(3))(C(12)H(8)N(2))(H(2)O)]·3H(2)O, the Cu(II) cation is O,N,O′-chelated by the 2-amino-7-methyl-4-oxidopteridine-6-carboxyl­ate anion and N,N′-chelated by the 1,10-phenanthroline (phen) ligand. A water mol­ecule further coordinates to the Cu(II) cation to com...

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Detalles Bibliográficos
Autores principales: Baisya, Siddhartha S., Roy, Parag S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257256/
https://www.ncbi.nlm.nih.gov/pubmed/25484742
http://dx.doi.org/10.1107/S1600536814022302
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author Baisya, Siddhartha S.
Roy, Parag S.
author_facet Baisya, Siddhartha S.
Roy, Parag S.
author_sort Baisya, Siddhartha S.
collection PubMed
description In the title compound, [Cu(C(8)H(5)N(5)O(3))(C(12)H(8)N(2))(H(2)O)]·3H(2)O, the Cu(II) cation is O,N,O′-chelated by the 2-amino-7-methyl-4-oxidopteridine-6-carboxyl­ate anion and N,N′-chelated by the 1,10-phenanthroline (phen) ligand. A water mol­ecule further coordinates to the Cu(II) cation to complete the elongated distorted octa­hedral coordination geometry. In the mol­ecule, the pteridine ring system is essentially planar [maximum deviation = 0.055 (4) Å], and its mean plane is nearly perpendicular to the phen ring system [dihedral angle = 85.97 (3)°]. In the crystal, N—H⋯O, O—H⋯N and O—H⋯·O hydrogen bonds, as well as weak C—H⋯O hydrogen bonds and C—H⋯π inter­actions, link the complex mol­ecules and lattice water mol­ecules into a three-dimensional supra­molecular architecture. Extensive π–π stacking between nearly parallel aromatic rings of adjacent mol­ecules are also observed, the centroid-to-centroid distances being 3.352 (2), 3.546 (3), 3.706 (3) and 3.744 (3) Å.
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spelling pubmed-42572562014-12-05 Crystal structure of (2-amino-7-methyl-4-oxido­pteridine-6-carboxyl­ato-κ(3) O (4),N (5),O (6))aqua­(1,10-phenanthroline-κ(2) N,N′)copper(II) trihydrate Baisya, Siddhartha S. Roy, Parag S. Acta Crystallogr Sect E Struct Rep Online Research Communications In the title compound, [Cu(C(8)H(5)N(5)O(3))(C(12)H(8)N(2))(H(2)O)]·3H(2)O, the Cu(II) cation is O,N,O′-chelated by the 2-amino-7-methyl-4-oxidopteridine-6-carboxyl­ate anion and N,N′-chelated by the 1,10-phenanthroline (phen) ligand. A water mol­ecule further coordinates to the Cu(II) cation to complete the elongated distorted octa­hedral coordination geometry. In the mol­ecule, the pteridine ring system is essentially planar [maximum deviation = 0.055 (4) Å], and its mean plane is nearly perpendicular to the phen ring system [dihedral angle = 85.97 (3)°]. In the crystal, N—H⋯O, O—H⋯N and O—H⋯·O hydrogen bonds, as well as weak C—H⋯O hydrogen bonds and C—H⋯π inter­actions, link the complex mol­ecules and lattice water mol­ecules into a three-dimensional supra­molecular architecture. Extensive π–π stacking between nearly parallel aromatic rings of adjacent mol­ecules are also observed, the centroid-to-centroid distances being 3.352 (2), 3.546 (3), 3.706 (3) and 3.744 (3) Å. International Union of Crystallography 2014-10-18 /pmc/articles/PMC4257256/ /pubmed/25484742 http://dx.doi.org/10.1107/S1600536814022302 Text en © Baisya and Roy 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Baisya, Siddhartha S.
Roy, Parag S.
Crystal structure of (2-amino-7-methyl-4-oxido­pteridine-6-carboxyl­ato-κ(3) O (4),N (5),O (6))aqua­(1,10-phenanthroline-κ(2) N,N′)copper(II) trihydrate
title Crystal structure of (2-amino-7-methyl-4-oxido­pteridine-6-carboxyl­ato-κ(3) O (4),N (5),O (6))aqua­(1,10-phenanthroline-κ(2) N,N′)copper(II) trihydrate
title_full Crystal structure of (2-amino-7-methyl-4-oxido­pteridine-6-carboxyl­ato-κ(3) O (4),N (5),O (6))aqua­(1,10-phenanthroline-κ(2) N,N′)copper(II) trihydrate
title_fullStr Crystal structure of (2-amino-7-methyl-4-oxido­pteridine-6-carboxyl­ato-κ(3) O (4),N (5),O (6))aqua­(1,10-phenanthroline-κ(2) N,N′)copper(II) trihydrate
title_full_unstemmed Crystal structure of (2-amino-7-methyl-4-oxido­pteridine-6-carboxyl­ato-κ(3) O (4),N (5),O (6))aqua­(1,10-phenanthroline-κ(2) N,N′)copper(II) trihydrate
title_short Crystal structure of (2-amino-7-methyl-4-oxido­pteridine-6-carboxyl­ato-κ(3) O (4),N (5),O (6))aqua­(1,10-phenanthroline-κ(2) N,N′)copper(II) trihydrate
title_sort crystal structure of (2-amino-7-methyl-4-oxido­pteridine-6-carboxyl­ato-κ(3) o (4),n (5),o (6))aqua­(1,10-phenanthroline-κ(2) n,n′)copper(ii) trihydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257256/
https://www.ncbi.nlm.nih.gov/pubmed/25484742
http://dx.doi.org/10.1107/S1600536814022302
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