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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...

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Autores principales: Baisya, Siddhartha S., Ghosh, Baidyanath, Roy, Parag S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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