Cargando…
Benzoic acid–2,9-dimethylphenanthroline (1/1)
The constituents of the title 1:1 co-crystal, C(7)H(6)O(2)·C(14)H(12)N(2), are connected into dimeric aggregates by a bifurcated O—H⋯N hydrogen bond; the hydroxyl-H atom is hydrogen bonded to the two N atoms of the 2,9-dimethylphenanthroline. The hydrogen-bonded residues are almost orthogonal to ea...
Autores principales: | , , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007214/ https://www.ncbi.nlm.nih.gov/pubmed/21588407 http://dx.doi.org/10.1107/S1600536810029065 |
_version_ | 1782194302569414656 |
---|---|
author | Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. |
author_facet | Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. |
author_sort | Arman, Hadi D. |
collection | PubMed |
description | The constituents of the title 1:1 co-crystal, C(7)H(6)O(2)·C(14)H(12)N(2), are connected into dimeric aggregates by a bifurcated O—H⋯N hydrogen bond; the hydroxyl-H atom is hydrogen bonded to the two N atoms of the 2,9-dimethylphenanthroline. The hydrogen-bonded residues are almost orthogonal to each other [dihedral angle = 78.56 (7) °]. In the crystal packing, the aggregates are assembled into layers in the bc plane by π⋯π interactions [ring centroid⋯ring centroid distance = 3.5577 (16) Å] involving the pyridyl rings, and C–H⋯π contacts involving the phenanthroline-H atom and the phenyl ring of the acid. |
format | Text |
id | pubmed-3007214 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30072142010-12-30 Benzoic acid–2,9-dimethylphenanthroline (1/1) Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The constituents of the title 1:1 co-crystal, C(7)H(6)O(2)·C(14)H(12)N(2), are connected into dimeric aggregates by a bifurcated O—H⋯N hydrogen bond; the hydroxyl-H atom is hydrogen bonded to the two N atoms of the 2,9-dimethylphenanthroline. The hydrogen-bonded residues are almost orthogonal to each other [dihedral angle = 78.56 (7) °]. In the crystal packing, the aggregates are assembled into layers in the bc plane by π⋯π interactions [ring centroid⋯ring centroid distance = 3.5577 (16) Å] involving the pyridyl rings, and C–H⋯π contacts involving the phenanthroline-H atom and the phenyl ring of the acid. International Union of Crystallography 2010-07-24 /pmc/articles/PMC3007214/ /pubmed/21588407 http://dx.doi.org/10.1107/S1600536810029065 Text en © Arman et al. 2010 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 Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. Benzoic acid–2,9-dimethylphenanthroline (1/1) |
title | Benzoic acid–2,9-dimethylphenanthroline (1/1) |
title_full | Benzoic acid–2,9-dimethylphenanthroline (1/1) |
title_fullStr | Benzoic acid–2,9-dimethylphenanthroline (1/1) |
title_full_unstemmed | Benzoic acid–2,9-dimethylphenanthroline (1/1) |
title_short | Benzoic acid–2,9-dimethylphenanthroline (1/1) |
title_sort | benzoic acid–2,9-dimethylphenanthroline (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007214/ https://www.ncbi.nlm.nih.gov/pubmed/21588407 http://dx.doi.org/10.1107/S1600536810029065 |
work_keys_str_mv | AT armanhadid benzoicacid29dimethylphenanthroline11 AT kaulgudtrupta benzoicacid29dimethylphenanthroline11 AT tiekinkedwardrt benzoicacid29dimethylphenanthroline11 |