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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-4257256 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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