2-Methyl-5-nitro-1H-benzimidazole monohydrate
In the title compound, C8H7N3O2·H2O, the 2-methyl-5-nitro-1H-benzimidazole molecule, excluding the methyl H atoms, is approximately planar, with a maximum deviation of 0.137 (1) Å. The crystal structure is stabilized by water molecules via N&...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011-06-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811019027 |
| _version_ | 1798030941697867776 |
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| author | Raza Murad Ghalib Rokiah Hashim Othman Sulaiman Ching Kheng Quah Hoong-Kun Fun |
| author_facet | Raza Murad Ghalib Rokiah Hashim Othman Sulaiman Ching Kheng Quah Hoong-Kun Fun |
| author_sort | Raza Murad Ghalib |
| collection | DOAJ |
| description | In the title compound, C8H7N3O2·H2O, the 2-methyl-5-nitro-1H-benzimidazole molecule, excluding the methyl H atoms, is approximately planar, with a maximum deviation of 0.137 (1) Å. The crystal structure is stabilized by water molecules via N—H...O(water), O(water)—H...O and O(water)—H...N hydrogen bonds, forming sheets parallel to the (100) plane. A short intermolecular contact between the benzene and imidazole rings, with a centroid–centroid distance of 3.6419 (10) Å, indicates a π–π interaction. |
| first_indexed | 2024-04-11T19:49:25Z |
| format | Article |
| id | doaj.art-860e9ced193c43ac8672e581c64748ac |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T19:49:25Z |
| publishDate | 2011-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-860e9ced193c43ac8672e581c64748ac2022-12-22T04:06:22ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-06-01676o1523o152410.1107/S16005368110190272-Methyl-5-nitro-1H-benzimidazole monohydrateRaza Murad GhalibRokiah HashimOthman SulaimanChing Kheng QuahHoong-Kun FunIn the title compound, C8H7N3O2·H2O, the 2-methyl-5-nitro-1H-benzimidazole molecule, excluding the methyl H atoms, is approximately planar, with a maximum deviation of 0.137 (1) Å. The crystal structure is stabilized by water molecules via N—H...O(water), O(water)—H...O and O(water)—H...N hydrogen bonds, forming sheets parallel to the (100) plane. A short intermolecular contact between the benzene and imidazole rings, with a centroid–centroid distance of 3.6419 (10) Å, indicates a π–π interaction.http://scripts.iucr.org/cgi-bin/paper?S1600536811019027 |
| spellingShingle | Raza Murad Ghalib Rokiah Hashim Othman Sulaiman Ching Kheng Quah Hoong-Kun Fun 2-Methyl-5-nitro-1H-benzimidazole monohydrate Acta Crystallographica Section E |
| title | 2-Methyl-5-nitro-1H-benzimidazole monohydrate |
| title_full | 2-Methyl-5-nitro-1H-benzimidazole monohydrate |
| title_fullStr | 2-Methyl-5-nitro-1H-benzimidazole monohydrate |
| title_full_unstemmed | 2-Methyl-5-nitro-1H-benzimidazole monohydrate |
| title_short | 2-Methyl-5-nitro-1H-benzimidazole monohydrate |
| title_sort | 2 methyl 5 nitro 1h benzimidazole monohydrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536811019027 |
| work_keys_str_mv | AT razamuradghalib 2methyl5nitro1hbenzimidazolemonohydrate AT rokiahhashim 2methyl5nitro1hbenzimidazolemonohydrate AT othmansulaiman 2methyl5nitro1hbenzimidazolemonohydrate AT chingkhengquah 2methyl5nitro1hbenzimidazolemonohydrate AT hoongkunfun 2methyl5nitro1hbenzimidazolemonohydrate |