Crystal structure of 4-(benzo[d]thiazol-2-yl)-1,2-dimethyl-1H-pyrazol-3(2H)-one
In the title compound, C12H11N3OS, the interplanar angle between the pyrazole and benzothiazole rings is 3.31 (7)°. In the three-dimensional molecular packing, the carbonyl oxygen acts as acceptor to four C—H donors (with one H...O as short as 2.25 Å), while one methyl hydrogen is part of the three-...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2024-03-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989024001257 |
| _version_ | 1797272247756390400 |
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| author | Heba A. Elboshi Rasha A. Azzam Galal H. Elgemeie Peter G. Jones |
| author_facet | Heba A. Elboshi Rasha A. Azzam Galal H. Elgemeie Peter G. Jones |
| author_sort | Heba A. Elboshi |
| collection | DOAJ |
| description | In the title compound, C12H11N3OS, the interplanar angle between the pyrazole and benzothiazole rings is 3.31 (7)°. In the three-dimensional molecular packing, the carbonyl oxygen acts as acceptor to four C—H donors (with one H...O as short as 2.25 Å), while one methyl hydrogen is part of the three-centre system H...(S, O). A double layer structure parallel to (\overline{1}01) can be recognized as a subsection of the packing. |
| first_indexed | 2024-03-07T14:25:38Z |
| format | Article |
| id | doaj.art-d53df1f9edb1425191bd57c44d664402 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-03-07T14:25:38Z |
| publishDate | 2024-03-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-d53df1f9edb1425191bd57c44d6644022024-03-06T08:47:40ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902024-03-0180328929110.1107/S2056989024001257yz2050Crystal structure of 4-(benzo[d]thiazol-2-yl)-1,2-dimethyl-1H-pyrazol-3(2H)-oneHeba A. Elboshi0Rasha A. Azzam1Galal H. Elgemeie2Peter G. Jones3Chemistry Department, Faculty of Science, Helwan University, Cairo, EgyptChemistry Department, Faculty of Science, Helwan University, Cairo, EgyptChemistry Department, Faculty of Science, Helwan University, Cairo, EgyptInstitut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, D-38106 Braunschweig, GermanyIn the title compound, C12H11N3OS, the interplanar angle between the pyrazole and benzothiazole rings is 3.31 (7)°. In the three-dimensional molecular packing, the carbonyl oxygen acts as acceptor to four C—H donors (with one H...O as short as 2.25 Å), while one methyl hydrogen is part of the three-centre system H...(S, O). A double layer structure parallel to (\overline{1}01) can be recognized as a subsection of the packing.http://scripts.iucr.org/cgi-bin/paper?S2056989024001257crystal structurebenzothiazolepyrazoloneweak hydrogen bonds |
| spellingShingle | Heba A. Elboshi Rasha A. Azzam Galal H. Elgemeie Peter G. Jones Crystal structure of 4-(benzo[d]thiazol-2-yl)-1,2-dimethyl-1H-pyrazol-3(2H)-one Acta Crystallographica Section E: Crystallographic Communications crystal structure benzothiazole pyrazolone weak hydrogen bonds |
| title | Crystal structure of 4-(benzo[d]thiazol-2-yl)-1,2-dimethyl-1H-pyrazol-3(2H)-one |
| title_full | Crystal structure of 4-(benzo[d]thiazol-2-yl)-1,2-dimethyl-1H-pyrazol-3(2H)-one |
| title_fullStr | Crystal structure of 4-(benzo[d]thiazol-2-yl)-1,2-dimethyl-1H-pyrazol-3(2H)-one |
| title_full_unstemmed | Crystal structure of 4-(benzo[d]thiazol-2-yl)-1,2-dimethyl-1H-pyrazol-3(2H)-one |
| title_short | Crystal structure of 4-(benzo[d]thiazol-2-yl)-1,2-dimethyl-1H-pyrazol-3(2H)-one |
| title_sort | crystal structure of 4 benzo d thiazol 2 yl 1 2 dimethyl 1h pyrazol 3 2h one |
| topic | crystal structure benzothiazole pyrazolone weak hydrogen bonds |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989024001257 |
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