Crystal structure of catena-poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]]
The title compound, {(C2H8NO)2[SnBr4]}n, is a layered hybrid perovskite crystallizing in the monoclinic space group C2/c. The asymmetric unit consists of one H3C—O—NH2+—CH3 cation (Me2HA+), one SnII atom located on a twofold rotation axis, and two Br atoms. The SnII atom has a distorted octahedral c...
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International Union of Crystallography
2025-01-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | https://journals.iucr.org/paper?S2056989024012027 |
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| author | Valerii Y. Sirenko Mircea-Odin Apostu Irina A. Golenya Dina D. Naumova Sofiia V. Partsevska |
| author_facet | Valerii Y. Sirenko Mircea-Odin Apostu Irina A. Golenya Dina D. Naumova Sofiia V. Partsevska |
| author_sort | Valerii Y. Sirenko |
| collection | DOAJ |
| description | The title compound, {(C2H8NO)2[SnBr4]}n, is a layered hybrid perovskite crystallizing in the monoclinic space group C2/c. The asymmetric unit consists of one H3C—O—NH2+—CH3 cation (Me2HA+), one SnII atom located on a twofold rotation axis, and two Br atoms. The SnII atom has a distorted octahedral coordination environment formed by the bromido ligands. The {SnBr6} units corner-share their equatorial Br atoms, forming infinite mono-layers that extend parallel to the ab plane. These inorganic layers are sandwiched by the organic Me2HA+ cations organized in double-layers; stacking of the layers is along the c-axis direction. Consecutive inorganic layers, separated by the organic cations, are shifted relative to each other along the b-axis direction. Specifically, the SnII atom in one inorganic layer is offset by 3.148 Å along the b axis relative to the SnII atom in an adjacent inorganic layer. The N,O-dimethylhydroxylammonium cation forms two hydrogen bonds with the axial bromide anions of the inorganic layers as acceptors, and leads to the cohesion of the crystal structure. According to Hirshfeld surface analysis, the highest contributions to the crystal packing are from H...H (46.2%), Br...H (38.5%), and H...O (14.8%) contacts. |
| format | Article |
| id | doaj-art-0b9e491e0e8c42a2ab21627570c5ff09 |
| institution | Kabale University |
| issn | 2056-9890 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj-art-0b9e491e0e8c42a2ab21627570c5ff092025-01-06T09:23:11ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902025-01-01811424610.1107/S2056989024012027wm5741Crystal structure of catena-poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]]Valerii Y. Sirenko0Mircea-Odin Apostu1Irina A. Golenya2Dina D. Naumova3Sofiia V. Partsevska4Department of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska str. 64/13, 01601 Kyiv, UkraineDepartment of Chemistry, Faculty of Chemistry, Al. I. Cuza University of Iasi, Carol I Blvd. 11, Iasi 700506, RomaniaDepartment of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska str. 64/13, 01601 Kyiv, UkraineDepartment of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska str. 64/13, 01601 Kyiv, UkraineDepartment of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska str. 64/13, 01601 Kyiv, UkraineThe title compound, {(C2H8NO)2[SnBr4]}n, is a layered hybrid perovskite crystallizing in the monoclinic space group C2/c. The asymmetric unit consists of one H3C—O—NH2+—CH3 cation (Me2HA+), one SnII atom located on a twofold rotation axis, and two Br atoms. The SnII atom has a distorted octahedral coordination environment formed by the bromido ligands. The {SnBr6} units corner-share their equatorial Br atoms, forming infinite mono-layers that extend parallel to the ab plane. These inorganic layers are sandwiched by the organic Me2HA+ cations organized in double-layers; stacking of the layers is along the c-axis direction. Consecutive inorganic layers, separated by the organic cations, are shifted relative to each other along the b-axis direction. Specifically, the SnII atom in one inorganic layer is offset by 3.148 Å along the b axis relative to the SnII atom in an adjacent inorganic layer. The N,O-dimethylhydroxylammonium cation forms two hydrogen bonds with the axial bromide anions of the inorganic layers as acceptors, and leads to the cohesion of the crystal structure. According to Hirshfeld surface analysis, the highest contributions to the crystal packing are from H...H (46.2%), Br...H (38.5%), and H...O (14.8%) contacts.https://journals.iucr.org/paper?S2056989024012027metal halidesstannaten,o-dimethylhydroxylaminetin(ii) bromidehirshfeld surface analysiscrystal structure |
| spellingShingle | Valerii Y. Sirenko Mircea-Odin Apostu Irina A. Golenya Dina D. Naumova Sofiia V. Partsevska Crystal structure of catena-poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]] Acta Crystallographica Section E: Crystallographic Communications metal halides stannate n,o-dimethylhydroxylamine tin(ii) bromide hirshfeld surface analysis crystal structure |
| title | Crystal structure of catena-poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]] |
| title_full | Crystal structure of catena-poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]] |
| title_fullStr | Crystal structure of catena-poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]] |
| title_full_unstemmed | Crystal structure of catena-poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]] |
| title_short | Crystal structure of catena-poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]] |
| title_sort | crystal structure of catena poly bis n o dimethylhydroxylammonium di μ bromido dibromidostannate ii |
| topic | metal halides stannate n,o-dimethylhydroxylamine tin(ii) bromide hirshfeld surface analysis crystal structure |
| url | https://journals.iucr.org/paper?S2056989024012027 |
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