Pimobendan B from powder diffraction data

The title mol­ecule, C(19)H(18)N(4)O(2) {systematic name: (RS)-6-[2-(4-meth­oxy­phen­yl)-1H-benzimidazol-5-yl]-5-methyl-4,5-di­hydro­pyridazin-3(2H)-one}, adopts an extended conformation. The dihedral angles between the central benzimidazole ring sytem and the pendant meth­oxy­phenyl and pyridazinon...

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Autores principales: Zvirgzdins, Alvis, Delina, Mara, Mishnev, Anatoly, Actins, Andris
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3919548/
https://www.ncbi.nlm.nih.gov/pubmed/24526935
http://dx.doi.org/10.1107/S1600536813028353
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author Zvirgzdins, Alvis
Delina, Mara
Mishnev, Anatoly
Actins, Andris
author_facet Zvirgzdins, Alvis
Delina, Mara
Mishnev, Anatoly
Actins, Andris
author_sort Zvirgzdins, Alvis
collection PubMed
description The title mol­ecule, C(19)H(18)N(4)O(2) {systematic name: (RS)-6-[2-(4-meth­oxy­phen­yl)-1H-benzimidazol-5-yl]-5-methyl-4,5-di­hydro­pyridazin-3(2H)-one}, adopts an extended conformation. The dihedral angles between the central benzimidazole ring sytem and the pendant meth­oxy­phenyl and pyridazinone residues are 1.41 (18) and 9.7 (3)°, respectively. In the crystal, N—H⋯N hydrogen bonds link the imadazole groups into [001] chains, and pairs of N—H⋯O hydrogen bonds link the pyridazinone groups into dimers. Together, these generate a two-dimensional supra­molecular structure parallel to (010). The layers are linked by C—H⋯π inter­actions.
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spelling pubmed-39195482014-02-13 Pimobendan B from powder diffraction data Zvirgzdins, Alvis Delina, Mara Mishnev, Anatoly Actins, Andris Acta Crystallogr Sect E Struct Rep Online Organic Papers The title mol­ecule, C(19)H(18)N(4)O(2) {systematic name: (RS)-6-[2-(4-meth­oxy­phen­yl)-1H-benzimidazol-5-yl]-5-methyl-4,5-di­hydro­pyridazin-3(2H)-one}, adopts an extended conformation. The dihedral angles between the central benzimidazole ring sytem and the pendant meth­oxy­phenyl and pyridazinone residues are 1.41 (18) and 9.7 (3)°, respectively. In the crystal, N—H⋯N hydrogen bonds link the imadazole groups into [001] chains, and pairs of N—H⋯O hydrogen bonds link the pyridazinone groups into dimers. Together, these generate a two-dimensional supra­molecular structure parallel to (010). The layers are linked by C—H⋯π inter­actions. International Union of Crystallography 2013-10-19 /pmc/articles/PMC3919548/ /pubmed/24526935 http://dx.doi.org/10.1107/S1600536813028353 Text en © Zvirgzdins et al. 2013 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 Organic Papers
Zvirgzdins, Alvis
Delina, Mara
Mishnev, Anatoly
Actins, Andris
Pimobendan B from powder diffraction data
title Pimobendan B from powder diffraction data
title_full Pimobendan B from powder diffraction data
title_fullStr Pimobendan B from powder diffraction data
title_full_unstemmed Pimobendan B from powder diffraction data
title_short Pimobendan B from powder diffraction data
title_sort pimobendan b from powder diffraction data
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3919548/
https://www.ncbi.nlm.nih.gov/pubmed/24526935
http://dx.doi.org/10.1107/S1600536813028353
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AT actinsandris pimobendanbfrompowderdiffractiondata

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