Synthesis and Crystal Structure of 1-(4-Nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-one
A functionalized benzimidazole, 1-(4-nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-one, has been synthesized, and the crystal structure was determined and analyzed. This compound crystallizes in the monoclinic, space group P21/n (number 14) c with cell parameters, a=7.12148(8) Å, b=16.12035(17) Å,...
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| Format: | Article |
| Language: | English |
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Wiley
2013-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2013/603579 |
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| author | Dounia Belaziz Santiago V. Luis Youssef Kandri Rodi Inés Martí Vicente Martí-Centelles |
| author_facet | Dounia Belaziz Santiago V. Luis Youssef Kandri Rodi Inés Martí Vicente Martí-Centelles |
| author_sort | Dounia Belaziz |
| collection | DOAJ |
| description | A functionalized benzimidazole, 1-(4-nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-one, has been synthesized, and the crystal structure was determined and analyzed. This compound crystallizes in the monoclinic, space group P21/n (number 14) c with cell parameters, a=7.12148(8) Å, b=16.12035(17) Å, c=13.04169(17) Å, β=93.3043(11), V=1494.71(3) Å3, and Dcalc = 1.375 g/mm3. The solid state geometry is stabilized by intermolecular π–π interactions along with the van der Waals interactions which contribute to the stability of the crystal packing. Computational calculations have been used to properly understand the main intermolecular interactions present in the crystal. |
| format | Article |
| id | doaj-art-3f4f03cbcda14a959bf3df72a8b3e33b |
| institution | Kabale University |
| issn | 2090-9063 2090-9071 |
| language | English |
| publishDate | 2013-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-3f4f03cbcda14a959bf3df72a8b3e33b2025-02-03T01:23:25ZengWileyJournal of Chemistry2090-90632090-90712013-01-01201310.1155/2013/603579603579Synthesis and Crystal Structure of 1-(4-Nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-oneDounia Belaziz0Santiago V. Luis1Youssef Kandri Rodi2Inés Martí3Vicente Martí-Centelles4Laboratoire de Chimie Organique Appliquée, Faculté des Sciences et Techniques, Université Sidi Mohamed Ben Abdallah, Fès, MoroccoUniversitat Jaume I, Departamento de Química Inorgánica y Orgánica, Avenida Sos Baynat, s/n, E-12071 Castellón, SpainLaboratoire de Chimie Organique Appliquée, Faculté des Sciences et Techniques, Université Sidi Mohamed Ben Abdallah, Fès, MoroccoUniversitat Jaume I, Departamento de Química Inorgánica y Orgánica, Avenida Sos Baynat, s/n, E-12071 Castellón, SpainUniversitat Jaume I, Departamento de Química Inorgánica y Orgánica, Avenida Sos Baynat, s/n, E-12071 Castellón, SpainA functionalized benzimidazole, 1-(4-nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-one, has been synthesized, and the crystal structure was determined and analyzed. This compound crystallizes in the monoclinic, space group P21/n (number 14) c with cell parameters, a=7.12148(8) Å, b=16.12035(17) Å, c=13.04169(17) Å, β=93.3043(11), V=1494.71(3) Å3, and Dcalc = 1.375 g/mm3. The solid state geometry is stabilized by intermolecular π–π interactions along with the van der Waals interactions which contribute to the stability of the crystal packing. Computational calculations have been used to properly understand the main intermolecular interactions present in the crystal.http://dx.doi.org/10.1155/2013/603579 |
| spellingShingle | Dounia Belaziz Santiago V. Luis Youssef Kandri Rodi Inés Martí Vicente Martí-Centelles Synthesis and Crystal Structure of 1-(4-Nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-one Journal of Chemistry |
| title | Synthesis and Crystal Structure of 1-(4-Nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-one |
| title_full | Synthesis and Crystal Structure of 1-(4-Nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-one |
| title_fullStr | Synthesis and Crystal Structure of 1-(4-Nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-one |
| title_full_unstemmed | Synthesis and Crystal Structure of 1-(4-Nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-one |
| title_short | Synthesis and Crystal Structure of 1-(4-Nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-one |
| title_sort | synthesis and crystal structure of 1 4 nitrobenzyl 3 allyl 1h benzo d imidazol 2 3h one |
| url | http://dx.doi.org/10.1155/2013/603579 |
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