2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate
In the title compound, C8H9N4S+·Cl−·H2O, the cation is approximately planar, with a dihedral angle of 7.71 (8)° between the mean planes of the benzoimidazole ring system and the thiourea unit. In the crystal, cations, anions and water molecules of crystallization are linked by O—H...Cl, N—H...O, N—H...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014-05-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536814006837 |
| _version_ | 1818941235126075392 |
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| author | C. N. Sundaresan Dheeraj Kumar Singh Jagadeesh Babu Nanubolu |
| author_facet | C. N. Sundaresan Dheeraj Kumar Singh Jagadeesh Babu Nanubolu |
| author_sort | C. N. Sundaresan |
| collection | DOAJ |
| description | In the title compound, C8H9N4S+·Cl−·H2O, the cation is approximately planar, with a dihedral angle of 7.71 (8)° between the mean planes of the benzoimidazole ring system and the thiourea unit. In the crystal, cations, anions and water molecules of crystallization are linked by O—H...Cl, N—H...O, N—H...Cl and N—H...S hydrogen bonds into a three-dimensional network. π–π stacking is observed between the benzene and imidazole rings of neighbouring molecules, the centroid–centroid distance being 3.5774 (11) Å. |
| first_indexed | 2024-12-20T06:52:18Z |
| format | Article |
| id | doaj.art-f0c6f2774faf4d7396b53df80288c037 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T06:52:18Z |
| publishDate | 2014-05-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-f0c6f2774faf4d7396b53df80288c0372022-12-21T19:49:31ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-05-01705o553o55310.1107/S1600536814006837xu57812-Thioureido-1H-benzimidazol-3-ium chloride monohydrateC. N. Sundaresan0Dheeraj Kumar Singh1Jagadeesh Babu Nanubolu2Department of Chemistry, Sri Sathya Sai Institute of Higher Learning, Brindavan Campus, Kadugodi, Bangalore 560 067, IndiaDepartment of Chemistry, Sri Sathya Sai Institute of Higher Learning, Brindavan Campus, Kadugodi, Bangalore 560 067, IndiaX-ray Crystallography Division, Indian Institute of Chemical Technology, Hyderabad 500 007, IndiaIn the title compound, C8H9N4S+·Cl−·H2O, the cation is approximately planar, with a dihedral angle of 7.71 (8)° between the mean planes of the benzoimidazole ring system and the thiourea unit. In the crystal, cations, anions and water molecules of crystallization are linked by O—H...Cl, N—H...O, N—H...Cl and N—H...S hydrogen bonds into a three-dimensional network. π–π stacking is observed between the benzene and imidazole rings of neighbouring molecules, the centroid–centroid distance being 3.5774 (11) Å.http://scripts.iucr.org/cgi-bin/paper?S1600536814006837 |
| spellingShingle | C. N. Sundaresan Dheeraj Kumar Singh Jagadeesh Babu Nanubolu 2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate Acta Crystallographica Section E |
| title | 2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate |
| title_full | 2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate |
| title_fullStr | 2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate |
| title_full_unstemmed | 2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate |
| title_short | 2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate |
| title_sort | 2 thioureido 1h benzimidazol 3 ium chloride monohydrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536814006837 |
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