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Crystal structure and Hirshfeld surface analysis of bis(6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-5-ium) tetrachloridozincate
The title compound, (C(12)H(15)N(2))(2)[ZnCl(4)], is a salt with two symmetrically independent, essentially planar heterocyclic cations and a slightly distorted tetrahedral chlorozincate dianion. N—H⋯Cl hydrogen bonds link these ionic constituents into a discrete aggregate, which comprises one for...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8183451/ https://www.ncbi.nlm.nih.gov/pubmed/34164141 http://dx.doi.org/10.1107/S2056989021004989 |
| _version_ | 1783704378028326912 |
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| author | Tojiboev, Akmaljon Okmanov, Rasul Englert, Ulli Wang, Ruimin Pan, Fangfang Turgunov, Kambarali Tashkhodjaev, Bakhodir |
| author_facet | Tojiboev, Akmaljon Okmanov, Rasul Englert, Ulli Wang, Ruimin Pan, Fangfang Turgunov, Kambarali Tashkhodjaev, Bakhodir |
| author_sort | Tojiboev, Akmaljon |
| collection | PubMed |
| description | The title compound, (C(12)H(15)N(2))(2)[ZnCl(4)], is a salt with two symmetrically independent, essentially planar heterocyclic cations and a slightly distorted tetrahedral chlorozincate dianion. N—H⋯Cl hydrogen bonds link these ionic constituents into a discrete aggregate, which comprises one formula unit. The effect of hydrogen bonding is reflected in the minor distortions of the [ZnCl(4)](2−) moiety: distances between the cation and chlorido ligands engaged in classical hydrogen bonds are significantly longer than the others. Secondary interactions comprise C—H⋯π hydrogen bonding and weak π–π stacking. A Hirshfeld surface analysis indicates that the most abundant contacts in packing stem from H⋯H (47.8%) and Cl⋯H/H⋯Cl (29.3%) interactions. |
| format | Online Article Text |
| id | pubmed-8183451 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2021 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-81834512021-06-22 Crystal structure and Hirshfeld surface analysis of bis(6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-5-ium) tetrachloridozincate Tojiboev, Akmaljon Okmanov, Rasul Englert, Ulli Wang, Ruimin Pan, Fangfang Turgunov, Kambarali Tashkhodjaev, Bakhodir Acta Crystallogr E Crystallogr Commun Research Communications The title compound, (C(12)H(15)N(2))(2)[ZnCl(4)], is a salt with two symmetrically independent, essentially planar heterocyclic cations and a slightly distorted tetrahedral chlorozincate dianion. N—H⋯Cl hydrogen bonds link these ionic constituents into a discrete aggregate, which comprises one formula unit. The effect of hydrogen bonding is reflected in the minor distortions of the [ZnCl(4)](2−) moiety: distances between the cation and chlorido ligands engaged in classical hydrogen bonds are significantly longer than the others. Secondary interactions comprise C—H⋯π hydrogen bonding and weak π–π stacking. A Hirshfeld surface analysis indicates that the most abundant contacts in packing stem from H⋯H (47.8%) and Cl⋯H/H⋯Cl (29.3%) interactions. International Union of Crystallography 2021-05-14 /pmc/articles/PMC8183451/ /pubmed/34164141 http://dx.doi.org/10.1107/S2056989021004989 Text en © Tojiboev et al. 2021 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 Tojiboev, Akmaljon Okmanov, Rasul Englert, Ulli Wang, Ruimin Pan, Fangfang Turgunov, Kambarali Tashkhodjaev, Bakhodir Crystal structure and Hirshfeld surface analysis of bis(6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-5-ium) tetrachloridozincate |
| title | Crystal structure and Hirshfeld surface analysis of bis(6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-5-ium) tetrachloridozincate |
| title_full | Crystal structure and Hirshfeld surface analysis of bis(6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-5-ium) tetrachloridozincate |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of bis(6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-5-ium) tetrachloridozincate |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of bis(6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-5-ium) tetrachloridozincate |
| title_short | Crystal structure and Hirshfeld surface analysis of bis(6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-5-ium) tetrachloridozincate |
| title_sort | crystal structure and hirshfeld surface analysis of bis(6,7,8,9-tetrahydro-11h-pyrido[2,1-b]quinazolin-5-ium) tetrachloridozincate |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8183451/ https://www.ncbi.nlm.nih.gov/pubmed/34164141 http://dx.doi.org/10.1107/S2056989021004989 |
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