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Synthesis, crystal structure and Hirshfeld surface analysis of (1H-benzimidazol-2-yl)(morpholin-4-yl)methanethione
The title compound, C(12)H(13)N(3)OS, was synthesized via the Willgerodt–Kindler method. The benzimidozole moiety is essentially planar (r.m.s. deviation = 0.0084 Å). The thioamide group is inclined by 54.80 (14)° to the benzimidazole ring system. The morpholine ring is disordered over two sets of...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9535815/ https://www.ncbi.nlm.nih.gov/pubmed/36250125 http://dx.doi.org/10.1107/S2056989022008933 |
| _version_ | 1784802852878680064 |
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| author | Mutalliev, Lukmonjon Z. Abdullaev, Sirojiddin Pirnazarova, Nasiba Obidova, Ibodat Turgunov, Kambarali Yakubov, Ubaydullo Ashurov, Jamshid M. Elmuradov, Burkhan Zh. Mamadrakhimov, Azimjon A. |
| author_facet | Mutalliev, Lukmonjon Z. Abdullaev, Sirojiddin Pirnazarova, Nasiba Obidova, Ibodat Turgunov, Kambarali Yakubov, Ubaydullo Ashurov, Jamshid M. Elmuradov, Burkhan Zh. Mamadrakhimov, Azimjon A. |
| author_sort | Mutalliev, Lukmonjon Z. |
| collection | PubMed |
| description | The title compound, C(12)H(13)N(3)OS, was synthesized via the Willgerodt–Kindler method. The benzimidozole moiety is essentially planar (r.m.s. deviation = 0.0084 Å). The thioamide group is inclined by 54.80 (14)° to the benzimidazole ring system. The morpholine ring is disordered over two sets of sites [ratio 0.841 (11):0.159 (11)], with chair conformations for both components. In the crystal, molecules are linked into N—H⋯N hydrogen-bonded chains running parallel to the c axis. Hirshfeld surface analysis was used to quantify the intermolecular interactions. |
| format | Online Article Text |
| id | pubmed-9535815 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2022 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-95358152022-10-13 Synthesis, crystal structure and Hirshfeld surface analysis of (1H-benzimidazol-2-yl)(morpholin-4-yl)methanethione Mutalliev, Lukmonjon Z. Abdullaev, Sirojiddin Pirnazarova, Nasiba Obidova, Ibodat Turgunov, Kambarali Yakubov, Ubaydullo Ashurov, Jamshid M. Elmuradov, Burkhan Zh. Mamadrakhimov, Azimjon A. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(12)H(13)N(3)OS, was synthesized via the Willgerodt–Kindler method. The benzimidozole moiety is essentially planar (r.m.s. deviation = 0.0084 Å). The thioamide group is inclined by 54.80 (14)° to the benzimidazole ring system. The morpholine ring is disordered over two sets of sites [ratio 0.841 (11):0.159 (11)], with chair conformations for both components. In the crystal, molecules are linked into N—H⋯N hydrogen-bonded chains running parallel to the c axis. Hirshfeld surface analysis was used to quantify the intermolecular interactions. International Union of Crystallography 2022-09-08 /pmc/articles/PMC9535815/ /pubmed/36250125 http://dx.doi.org/10.1107/S2056989022008933 Text en © Mutalliev et al. 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Research Communications Mutalliev, Lukmonjon Z. Abdullaev, Sirojiddin Pirnazarova, Nasiba Obidova, Ibodat Turgunov, Kambarali Yakubov, Ubaydullo Ashurov, Jamshid M. Elmuradov, Burkhan Zh. Mamadrakhimov, Azimjon A. Synthesis, crystal structure and Hirshfeld surface analysis of (1H-benzimidazol-2-yl)(morpholin-4-yl)methanethione |
| title | Synthesis, crystal structure and Hirshfeld surface analysis of (1H-benzimidazol-2-yl)(morpholin-4-yl)methanethione |
| title_full | Synthesis, crystal structure and Hirshfeld surface analysis of (1H-benzimidazol-2-yl)(morpholin-4-yl)methanethione |
| title_fullStr | Synthesis, crystal structure and Hirshfeld surface analysis of (1H-benzimidazol-2-yl)(morpholin-4-yl)methanethione |
| title_full_unstemmed | Synthesis, crystal structure and Hirshfeld surface analysis of (1H-benzimidazol-2-yl)(morpholin-4-yl)methanethione |
| title_short | Synthesis, crystal structure and Hirshfeld surface analysis of (1H-benzimidazol-2-yl)(morpholin-4-yl)methanethione |
| title_sort | synthesis, crystal structure and hirshfeld surface analysis of (1h-benzimidazol-2-yl)(morpholin-4-yl)methanethione |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9535815/ https://www.ncbi.nlm.nih.gov/pubmed/36250125 http://dx.doi.org/10.1107/S2056989022008933 |
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