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Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate
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| Zeitschriftentitel: | Acta Crystallographica Section E Structure Reports Online |
|---|---|
| Personen und Körperschaften: | , , , |
| In: | Acta Crystallographica Section E Structure Reports Online, 70, 2014, 9, S. o913-o914 |
| Format: | E-Article |
| Sprache: | Unbestimmt |
| veröffentlicht: |
International Union of Crystallography (IUCr)
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| Schlagwörter: |
| author_facet |
Soudani, Sarra Aubert, Emmanuel Jelsch, Christian Ben Nasr, Cherif Soudani, Sarra Aubert, Emmanuel Jelsch, Christian Ben Nasr, Cherif |
|---|---|
| author |
Soudani, Sarra Aubert, Emmanuel Jelsch, Christian Ben Nasr, Cherif |
| spellingShingle |
Soudani, Sarra Aubert, Emmanuel Jelsch, Christian Ben Nasr, Cherif Acta Crystallographica Section E Structure Reports Online Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate Condensed Matter Physics General Materials Science General Chemistry |
| author_sort |
soudani, sarra |
| spelling |
Soudani, Sarra Aubert, Emmanuel Jelsch, Christian Ben Nasr, Cherif 1600-5368 International Union of Crystallography (IUCr) Condensed Matter Physics General Materials Science General Chemistry http://dx.doi.org/10.1107/s1600536814015864 <jats:p>The title salt, C<jats:sub>3</jats:sub>H<jats:sub>6</jats:sub>N<jats:sub>3</jats:sub>S<jats:sub>2</jats:sub><jats:sup>+</jats:sup>·Cl<jats:sup>−</jats:sup>·H<jats:sub>2</jats:sub>O, crystallized with two organic cations, two chloride anions and two water molecules in the asymmetric unit. The methyl C atoms deviate from their respective bound ring planes by 0.081 and 0.002 Å. In the crystal, the components are connected<jats:italic>via</jats:italic>N—H...O, N—H...Cl and O—H...Cl hydrogen bonds, forming sheets lying parallel to (100). The sheets are linked into bilayers by O—H...Cl hydrogen bonds involving the chloride ions and water molecules. Within the bilayers there are π–π interactions [inter-centroid distances = 3.4654 (4) and 3.4789 (4) Å] involving inversion-related cations.</jats:p> Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate Acta Crystallographica Section E Structure Reports Online |
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10.1107/s1600536814015864 |
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Physik |
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International Union of Crystallography (IUCr), 2014 |
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International Union of Crystallography (IUCr), 2014 |
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| title |
Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| title_unstemmed |
Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| title_full |
Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| title_fullStr |
Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| title_full_unstemmed |
Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| title_short |
Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| title_sort |
crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| topic |
Condensed Matter Physics General Materials Science General Chemistry |
| url |
http://dx.doi.org/10.1107/s1600536814015864 |
| publishDate |
2014 |
| physical |
o913-o914 |
| description |
<jats:p>The title salt, C<jats:sub>3</jats:sub>H<jats:sub>6</jats:sub>N<jats:sub>3</jats:sub>S<jats:sub>2</jats:sub><jats:sup>+</jats:sup>·Cl<jats:sup>−</jats:sup>·H<jats:sub>2</jats:sub>O, crystallized with two organic cations, two chloride anions and two water molecules in the asymmetric unit. The methyl C atoms deviate from their respective bound ring planes by 0.081 and 0.002 Å. In the crystal, the components are connected<jats:italic>via</jats:italic>N—H...O, N—H...Cl and O—H...Cl hydrogen bonds, forming sheets lying parallel to (100). The sheets are linked into bilayers by O—H...Cl hydrogen bonds involving the chloride ions and water molecules. Within the bilayers there are π–π interactions [inter-centroid distances = 3.4654 (4) and 3.4789 (4) Å] involving inversion-related cations.</jats:p> |
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| author | Soudani, Sarra, Aubert, Emmanuel, Jelsch, Christian, Ben Nasr, Cherif |
| author_facet | Soudani, Sarra, Aubert, Emmanuel, Jelsch, Christian, Ben Nasr, Cherif, Soudani, Sarra, Aubert, Emmanuel, Jelsch, Christian, Ben Nasr, Cherif |
| author_sort | soudani, sarra |
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| description | <jats:p>The title salt, C<jats:sub>3</jats:sub>H<jats:sub>6</jats:sub>N<jats:sub>3</jats:sub>S<jats:sub>2</jats:sub><jats:sup>+</jats:sup>·Cl<jats:sup>−</jats:sup>·H<jats:sub>2</jats:sub>O, crystallized with two organic cations, two chloride anions and two water molecules in the asymmetric unit. The methyl C atoms deviate from their respective bound ring planes by 0.081 and 0.002 Å. In the crystal, the components are connected<jats:italic>via</jats:italic>N—H...O, N—H...Cl and O—H...Cl hydrogen bonds, forming sheets lying parallel to (100). The sheets are linked into bilayers by O—H...Cl hydrogen bonds involving the chloride ions and water molecules. Within the bilayers there are π–π interactions [inter-centroid distances = 3.4654 (4) and 3.4789 (4) Å] involving inversion-related cations.</jats:p> |
| doi_str_mv | 10.1107/s1600536814015864 |
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| imprint | International Union of Crystallography (IUCr), 2014 |
| imprint_str_mv | International Union of Crystallography (IUCr), 2014 |
| institution | DE-105, DE-14, DE-Ch1, DE-L229, DE-D275, DE-Bn3, DE-Brt1, DE-Zwi2, DE-D161, DE-Gla1, DE-Zi4, DE-15, DE-Pl11, DE-Rs1 |
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| issn_str_mv | 1600-5368 |
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| physical | o913-o914 |
| publishDate | 2014 |
| publishDateSort | 2014 |
| publisher | International Union of Crystallography (IUCr) |
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| series | Acta Crystallographica Section E Structure Reports Online |
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| spelling | Soudani, Sarra Aubert, Emmanuel Jelsch, Christian Ben Nasr, Cherif 1600-5368 International Union of Crystallography (IUCr) Condensed Matter Physics General Materials Science General Chemistry http://dx.doi.org/10.1107/s1600536814015864 <jats:p>The title salt, C<jats:sub>3</jats:sub>H<jats:sub>6</jats:sub>N<jats:sub>3</jats:sub>S<jats:sub>2</jats:sub><jats:sup>+</jats:sup>·Cl<jats:sup>−</jats:sup>·H<jats:sub>2</jats:sub>O, crystallized with two organic cations, two chloride anions and two water molecules in the asymmetric unit. The methyl C atoms deviate from their respective bound ring planes by 0.081 and 0.002 Å. In the crystal, the components are connected<jats:italic>via</jats:italic>N—H...O, N—H...Cl and O—H...Cl hydrogen bonds, forming sheets lying parallel to (100). The sheets are linked into bilayers by O—H...Cl hydrogen bonds involving the chloride ions and water molecules. Within the bilayers there are π–π interactions [inter-centroid distances = 3.4654 (4) and 3.4789 (4) Å] involving inversion-related cations.</jats:p> Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate Acta Crystallographica Section E Structure Reports Online |
| spellingShingle | Soudani, Sarra, Aubert, Emmanuel, Jelsch, Christian, Ben Nasr, Cherif, Acta Crystallographica Section E Structure Reports Online, Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate, Condensed Matter Physics, General Materials Science, General Chemistry |
| title | Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| title_full | Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| title_fullStr | Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| title_full_unstemmed | Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| title_short | Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| title_sort | crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| title_unstemmed | Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate |
| topic | Condensed Matter Physics, General Materials Science, General Chemistry |
| url | http://dx.doi.org/10.1107/s1600536814015864 |