Artículo
Cukiernik, F.D.; Cecchi, F.; Baggio, R. "Comparison of halogen bonding and van der Waals and π-π Inter-actions in 4,5-dibromo-2-hexyl-oxyphenol" (2009) Acta Crystallographica Section C: Crystal Structure Communications. 65(5):o233-o236
Estamos trabajando para conseguir la versión final de este artículo
Consulte la política de Acceso Abierto del editor
Abstract:
The title compound, C12H16BrO2, is an inter-esting case of a simple organic mol-ecule making use of five different types of intra- and inter-molecular inter-actions (viz. conventional and nonconventional hydrogen bonds, and π-π, Br⋯Br and Br⋯O contacts), all of them relevant in the mol-ecular and crystal structure geometry. The mol-ecules are strictly planar, with an intra-molecular O - H⋯O hydrogen bond, and associate into two-dimensional structures parallel to ( 01) through two different types of halogen bonding. The planar structures, in turn, stack parallel to each other inter-linked by C - H⋯π and π-π contacts. Also discussed are the relevant structural features leading to the rather low melting point of the compound. © 2009 International Union of Crystallography.
Registro:
| Documento: | Artículo |
| Título: | Comparison of halogen bonding and van der Waals and π-π Inter-actions in 4,5-dibromo-2-hexyl-oxyphenol |
| Autor: | Cukiernik, F.D.; Cecchi, F.; Baggio, R. |
| Filiación: | INQUIMAE, Departamento de Química Inorgánica, Facultad de Ciencias Exactas y Naturales, Buenos Aires, Argentina Instituto de Ciencias, Universidad Nacional de General Sarmiento, Buenos Aires, Argentina Departamento de Física, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Buenos Aires, Argentina |
| Palabras clave: | Halogen bondings; Low melting points; Planar structures; Structural features; Structure geometries; Title compounds; Two-dimensional structures; Van der waals; Binding sites; Complexation; Crystal structure; Hydrogen; Melting point; Molecular structure; Van der Waals forces; Hydrogen bonds |
| Año: | 2009 |
| Volumen: | 65 |
| Número: | 5 |
| Página de inicio: | o233 |
| Página de fin: | o236 |
| DOI: | http://dx.doi.org/10.1107/S0108270109013286 |
| Título revista: | Acta Crystallographica Section C: Crystal Structure Communications |
| Título revista abreviado: | Acta Crystallogr Sect C Cryst Struct Commun |
| ISSN: | 01082701 |
| CODEN: | ACSCE |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01082701_v65_n5_po233_Cukiernik |
Referencias:
- Allen, F.H., (2002) Acta Cryst., B58
- Bruce, D.W., Chaux, F., Metrangolo, P., Meyer, F., Prasang, C., Resnati, G., Whitwood, A.C., (2008) New J. Chem., 32
- Csoregh, I., Brehmer, T., Bombiez, P., Weber, E., (2001) Cryst. Eng., 4
- Cukiernik, F.D., Zelcer, A., Garland, M.T., Baggio, R., (2008) Acta Cryst., C64
- Demus, D., (1998) Handbook of Liquid Crystals, 1. , edited by D. Demus, J. Goodby, G. W. Gray, H.-J. Spiess & V. Vill, ch. VI, Weinheim: Wiley-VCH
- Desiraju, G.R., Parthasarathy, R., (1989) J. Am. Chem. Soc., 111
- Gavezzotti, A., (2008) Mol. Phys., 106
- Janiak, C., (2000) J. Chem. Soc Dalton Trans.
- Metrangolo, P., Meyer, F., Pilati, T., Resnati, G., Terraneo, G., (2008) Angew. Chem. Int. Ed., 47
- Metrangolo, P., Resnati, G., (2008) Halogen Bonding: Fundamentals and Applications. Structure and Bonding, 126. , Editors. Heidelberg: Springer
- Metrangolo, P., Resnati, G., Pilati, T., Liantonio, R., Meyer, F., (2007) J. Polym. Sci. A, 45
- (1988) MSC/AFC Diffractometer Control Software, , Molecular Structure Corporation MSC, The Woodlands, Texas, USA
- North, A.C.T., Phillips, D.C., Mathews, F.S., (1968) Acta Cryst., A24
- Palusiak, M., Grabowski, S.J., (2008) Struct. Chem., 19
- Rissanen, K., (2008) CrystEngComm, 10
- Seurin, P., Guillon, D., Skoulios, A., (1981) Mol. Cryst. Liq. Cryst., 65
- Sheldrick, G.M., (2008) Acta Cryst., A64
- Sinnokrot, M.O., Sherrill, C.D., (2006) J. Phys. Chem. A, 110
- Spek, A.L., (2009) Acta Cryst., D65
- Wan, W., Monobe, H., Tanaka, Y., Shimizu, Y., (2003) Liq. Cryst., 30
- Weast, R.C., (1986) Handbook of Chemistry and Physics, , 66th ed. Boca Raton: CRC Press
- Zhang, Y., Liu, C., Shi, W., Wang, Z., Dai, L., Zhang, X., (2007) Langmuir, 23
Citas:
---------- APA ----------
Cukiernik, F.D., Cecchi, F. & Baggio, R. (2009) . Comparison of halogen bonding and van der Waals and π-π Inter-actions in 4,5-dibromo-2-hexyl-oxyphenol. Acta Crystallographica Section C: Crystal Structure Communications, 65(5), o233-o236.http://dx.doi.org/10.1107/S0108270109013286
---------- CHICAGO ----------
Cukiernik, F.D., Cecchi, F., Baggio, R. "Comparison of halogen bonding and van der Waals and π-π Inter-actions in 4,5-dibromo-2-hexyl-oxyphenol" . Acta Crystallographica Section C: Crystal Structure Communications 65, no. 5 (2009) : o233-o236.http://dx.doi.org/10.1107/S0108270109013286
---------- MLA ----------
Cukiernik, F.D., Cecchi, F., Baggio, R. "Comparison of halogen bonding and van der Waals and π-π Inter-actions in 4,5-dibromo-2-hexyl-oxyphenol" . Acta Crystallographica Section C: Crystal Structure Communications, vol. 65, no. 5, 2009, pp. o233-o236.http://dx.doi.org/10.1107/S0108270109013286
---------- VANCOUVER ----------
Cukiernik, F.D., Cecchi, F., Baggio, R. Comparison of halogen bonding and van der Waals and π-π Inter-actions in 4,5-dibromo-2-hexyl-oxyphenol. Acta Crystallogr Sect C Cryst Struct Commun. 2009;65(5):o233-o236.http://dx.doi.org/10.1107/S0108270109013286
