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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′)zinc trihydrate
In the title compound, [Zn(C(8)H(5)N(5)O(3))(C(12)H(8)N(2))(H(2)O)]·3H(2)O, a tridentate 2-amino-7-methyl-4-oxidopteridine-6-carboxylate ligand, a bidentate ancillary 1,10-phenanthroline (phen) ligand and a water molecule complete a distorted octahedral coordination geometry around the Zn(II) ato...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555367/ https://www.ncbi.nlm.nih.gov/pubmed/26396866 http://dx.doi.org/10.1107/S2056989015014619 |
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author | Baisya, Siddhartha S. Ghosh, Baidyanath Roy, Parag S. |
author_facet | Baisya, Siddhartha S. Ghosh, Baidyanath Roy, Parag S. |
author_sort | Baisya, Siddhartha S. |
collection | PubMed |
description | In the title compound, [Zn(C(8)H(5)N(5)O(3))(C(12)H(8)N(2))(H(2)O)]·3H(2)O, a tridentate 2-amino-7-methyl-4-oxidopteridine-6-carboxylate ligand, a bidentate ancillary 1,10-phenanthroline (phen) ligand and a water molecule complete a distorted octahedral coordination geometry around the Zn(II) atom. The pterin ligand forms two chelate rings. The phen and pterin ring systems are nearly perpendicular [dihedral angle = 85.16 (5)°]. Classical N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds and weak C—H⋯O hydrogen bonds link the complex molecules and lattice water molecules into a three-dimensional network. π–π stacking contacts are observed as well, with centroid-to-centroid distances of 3.5679 (14), 3.7004 (14), 3.6641 (15), 3.6974 (13) and 3.3412 (12) Å. |
format | Online Article Text |
id | pubmed-4555367 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45553672015-09-22 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′)zinc trihydrate Baisya, Siddhartha S. Ghosh, Baidyanath Roy, Parag S. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, [Zn(C(8)H(5)N(5)O(3))(C(12)H(8)N(2))(H(2)O)]·3H(2)O, a tridentate 2-amino-7-methyl-4-oxidopteridine-6-carboxylate ligand, a bidentate ancillary 1,10-phenanthroline (phen) ligand and a water molecule complete a distorted octahedral coordination geometry around the Zn(II) atom. The pterin ligand forms two chelate rings. The phen and pterin ring systems are nearly perpendicular [dihedral angle = 85.16 (5)°]. Classical N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds and weak C—H⋯O hydrogen bonds link the complex molecules and lattice water molecules into a three-dimensional network. π–π stacking contacts are observed as well, with centroid-to-centroid distances of 3.5679 (14), 3.7004 (14), 3.6641 (15), 3.6974 (13) and 3.3412 (12) Å. International Union of Crystallography 2015-08-12 /pmc/articles/PMC4555367/ /pubmed/26396866 http://dx.doi.org/10.1107/S2056989015014619 Text en © Baisya et al. 2015 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 | Data Reports Baisya, Siddhartha S. Ghosh, Baidyanath 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′)zinc 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′)zinc 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′)zinc 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′)zinc 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′)zinc 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′)zinc 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′)zinc trihydrate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555367/ https://www.ncbi.nlm.nih.gov/pubmed/26396866 http://dx.doi.org/10.1107/S2056989015014619 |
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