Crystal structure of 1-methylimidazole 3-oxide monohydrate
1-Methylimidazole 3-N-oxide (NMI-O) crystallizes as a monohydrate, C4H6N2O·H2O, in the monoclinic space group P21 with Z′ = 2 (molecules A and B). The imidazole rings display a planar geometry (r.m.s. deviations = 0.0008 and 0.0002 Å) and are linked in the crystal structure into infinite zigzag stra...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2017-03-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989017002079 |
| _version_ | 1818870107715141632 |
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| author | Christopher S. Frampton James I. Murray Alan C. Spivey |
| author_facet | Christopher S. Frampton James I. Murray Alan C. Spivey |
| author_sort | Christopher S. Frampton |
| collection | DOAJ |
| description | 1-Methylimidazole 3-N-oxide (NMI-O) crystallizes as a monohydrate, C4H6N2O·H2O, in the monoclinic space group P21 with Z′ = 2 (molecules A and B). The imidazole rings display a planar geometry (r.m.s. deviations = 0.0008 and 0.0002 Å) and are linked in the crystal structure into infinite zigzag strands of ...NMI-O(A)...OH2...NMI-O(B)...OH2... units by O—H...O hydrogen bonds. These chains propagate along the b-axis direction of the unit cell. |
| first_indexed | 2024-12-19T12:01:46Z |
| format | Article |
| id | doaj.art-577b9272f35646cfb8ca2045d9009ee9 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-19T12:01:46Z |
| publishDate | 2017-03-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-577b9272f35646cfb8ca2045d9009ee92022-12-21T20:22:27ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902017-03-0173337237410.1107/S2056989017002079hb7643Crystal structure of 1-methylimidazole 3-oxide monohydrateChristopher S. Frampton0James I. Murray1Alan C. Spivey2Wolfson Centre for Materials Processing, Brunel University London, Kingston Lane, Uxbridge, UB8 3PH, UKDepartment of Chemistry, South Kensington Campus, Imperial College London, London, SW7 2AZ, UKDepartment of Chemistry, South Kensington Campus, Imperial College London, London, SW7 2AZ, UK1-Methylimidazole 3-N-oxide (NMI-O) crystallizes as a monohydrate, C4H6N2O·H2O, in the monoclinic space group P21 with Z′ = 2 (molecules A and B). The imidazole rings display a planar geometry (r.m.s. deviations = 0.0008 and 0.0002 Å) and are linked in the crystal structure into infinite zigzag strands of ...NMI-O(A)...OH2...NMI-O(B)...OH2... units by O—H...O hydrogen bonds. These chains propagate along the b-axis direction of the unit cell.http://scripts.iucr.org/cgi-bin/paper?S2056989017002079crystal structurecatalysisaryl N-oxides1-methyl-2H-imidazole 3-N-oxidehydratehydrogen bonding |
| spellingShingle | Christopher S. Frampton James I. Murray Alan C. Spivey Crystal structure of 1-methylimidazole 3-oxide monohydrate Acta Crystallographica Section E: Crystallographic Communications crystal structure catalysis aryl N-oxides 1-methyl-2H-imidazole 3-N-oxide hydrate hydrogen bonding |
| title | Crystal structure of 1-methylimidazole 3-oxide monohydrate |
| title_full | Crystal structure of 1-methylimidazole 3-oxide monohydrate |
| title_fullStr | Crystal structure of 1-methylimidazole 3-oxide monohydrate |
| title_full_unstemmed | Crystal structure of 1-methylimidazole 3-oxide monohydrate |
| title_short | Crystal structure of 1-methylimidazole 3-oxide monohydrate |
| title_sort | crystal structure of 1 methylimidazole 3 oxide monohydrate |
| topic | crystal structure catalysis aryl N-oxides 1-methyl-2H-imidazole 3-N-oxide hydrate hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989017002079 |
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