Low-temperature study of a new nevirapine pseudopolymorph

The title compound (systematic name: 11-cyclo­propyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2′,3′-e][1,4]diazepin-6-one butanol 0.3-solvate), C(15)H(14)N(4)O·0.3C(4)H(9)OH, was crystallized in a new triclinic pseudopolymorphic form, a butanol solvate, and the crystal structure determined at 150 K....

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Detalles Bibliográficos
Autores principales: da Silva, C. C. P., Cuffini, S. L., Faudone, S. N., Ayala, A. P., Ellena, J.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2007
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915343/
https://www.ncbi.nlm.nih.gov/pubmed/21200857
http://dx.doi.org/10.1107/S1600536807042262
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author da Silva, C. C. P.
Cuffini, S. L.
Faudone, S. N.
Ayala, A. P.
Ellena, J.
author_facet da Silva, C. C. P.
Cuffini, S. L.
Faudone, S. N.
Ayala, A. P.
Ellena, J.
author_sort da Silva, C. C. P.
collection PubMed
description The title compound (systematic name: 11-cyclo­propyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2′,3′-e][1,4]diazepin-6-one butanol 0.3-solvate), C(15)H(14)N(4)O·0.3C(4)H(9)OH, was crystallized in a new triclinic pseudopolymorphic form, a butanol solvate, and the crystal structure determined at 150 K. The mol­ecular conformation of this new form differs from that reported previously, although the main inter­molecular hydrogen-bond pattern remains the same. N—H⋯O hydrogen bonds [N⋯O = 2.957 (3) Å] form centrosymmetric dimers and the crystal packing of this new pseudopolymorph generates infinite channels along the b axis.
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spelling pubmed-29153432010-12-30 Low-temperature study of a new nevirapine pseudopolymorph da Silva, C. C. P. Cuffini, S. L. Faudone, S. N. Ayala, A. P. Ellena, J. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound (systematic name: 11-cyclo­propyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2′,3′-e][1,4]diazepin-6-one butanol 0.3-solvate), C(15)H(14)N(4)O·0.3C(4)H(9)OH, was crystallized in a new triclinic pseudopolymorphic form, a butanol solvate, and the crystal structure determined at 150 K. The mol­ecular conformation of this new form differs from that reported previously, although the main inter­molecular hydrogen-bond pattern remains the same. N—H⋯O hydrogen bonds [N⋯O = 2.957 (3) Å] form centrosymmetric dimers and the crystal packing of this new pseudopolymorph generates infinite channels along the b axis. International Union of Crystallography 2007-12-18 /pmc/articles/PMC2915343/ /pubmed/21200857 http://dx.doi.org/10.1107/S1600536807042262 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.
spellingShingle Organic Papers
da Silva, C. C. P.
Cuffini, S. L.
Faudone, S. N.
Ayala, A. P.
Ellena, J.
Low-temperature study of a new nevirapine pseudopolymorph
title Low-temperature study of a new nevirapine pseudopolymorph
title_full Low-temperature study of a new nevirapine pseudopolymorph
title_fullStr Low-temperature study of a new nevirapine pseudopolymorph
title_full_unstemmed Low-temperature study of a new nevirapine pseudopolymorph
title_short Low-temperature study of a new nevirapine pseudopolymorph
title_sort low-temperature study of a new nevirapine pseudopolymorph
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915343/
https://www.ncbi.nlm.nih.gov/pubmed/21200857
http://dx.doi.org/10.1107/S1600536807042262
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