1-(4-Bromophenyl)-2-ethylsulfinyl-2-(phenylselanyl)ethanone monohydrate
In the title hydrate, C16H15BrO2SSe·H2O, the sulfinyl O atom lies on the opposite side of the molecule to the Se and carbonyl O atoms. The benzene rings form a dihedral angle of 51.66 (17)° and are splayed with respect to each other. The observed conformation...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011-05-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811012712 |
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doaj-b2df5625cc7e423cbe537f3496bbc0bc2020-11-25T02:30:48ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-05-01675o1099o110010.1107/S16005368110127121-(4-Bromophenyl)-2-ethylsulfinyl-2-(phenylselanyl)ethanone monohydrateJulio Zukerman-SchpectorCarlos A. De SimonePaulo R. OlivatoCarlos R. Cerqueira JrEdward R. T. TiekinkIn the title hydrate, C16H15BrO2SSe·H2O, the sulfinyl O atom lies on the opposite side of the molecule to the Se and carbonyl O atoms. The benzene rings form a dihedral angle of 51.66 (17)° and are splayed with respect to each other. The observed conformation allows the water molecules to bridge sulfinyl O atoms via O—H...O hydrogen bonds, generating a linear supramolecular chain along the b axis; the chain is further stabilized by C—H...O contacts. The chains are held in place in the crystal structure by C...H...π and C—Br...π interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536811012712 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Julio Zukerman-Schpector Carlos A. De Simone Paulo R. Olivato Carlos R. Cerqueira Jr Edward R. T. Tiekink |
| spellingShingle |
Julio Zukerman-Schpector Carlos A. De Simone Paulo R. Olivato Carlos R. Cerqueira Jr Edward R. T. Tiekink 1-(4-Bromophenyl)-2-ethylsulfinyl-2-(phenylselanyl)ethanone monohydrate Acta Crystallographica Section E |
| author_facet |
Julio Zukerman-Schpector Carlos A. De Simone Paulo R. Olivato Carlos R. Cerqueira Jr Edward R. T. Tiekink |
| author_sort |
Julio Zukerman-Schpector |
| title |
1-(4-Bromophenyl)-2-ethylsulfinyl-2-(phenylselanyl)ethanone monohydrate |
| title_short |
1-(4-Bromophenyl)-2-ethylsulfinyl-2-(phenylselanyl)ethanone monohydrate |
| title_full |
1-(4-Bromophenyl)-2-ethylsulfinyl-2-(phenylselanyl)ethanone monohydrate |
| title_fullStr |
1-(4-Bromophenyl)-2-ethylsulfinyl-2-(phenylselanyl)ethanone monohydrate |
| title_full_unstemmed |
1-(4-Bromophenyl)-2-ethylsulfinyl-2-(phenylselanyl)ethanone monohydrate |
| title_sort |
1-(4-bromophenyl)-2-ethylsulfinyl-2-(phenylselanyl)ethanone monohydrate |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2011-05-01 |
| description |
In the title hydrate, C16H15BrO2SSe·H2O, the sulfinyl O atom lies on the opposite side of the molecule to the Se and carbonyl O atoms. The benzene rings form a dihedral angle of 51.66 (17)° and are splayed with respect to each other. The observed conformation allows the water molecules to bridge sulfinyl O atoms via O—H...O hydrogen bonds, generating a linear supramolecular chain along the b axis; the chain is further stabilized by C—H...O contacts. The chains are held in place in the crystal structure by C...H...π and C—Br...π interactions. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536811012712 |
| work_keys_str_mv |
AT juliozukermanschpector 14bromophenyl2ethylsulfinyl2phenylselanylethanonemonohydrate AT carlosadesimone 14bromophenyl2ethylsulfinyl2phenylselanylethanonemonohydrate AT paulorolivato 14bromophenyl2ethylsulfinyl2phenylselanylethanonemonohydrate AT carlosrcerqueirajr 14bromophenyl2ethylsulfinyl2phenylselanylethanonemonohydrate AT edwardrttiekink 14bromophenyl2ethylsulfinyl2phenylselanylethanonemonohydrate |
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1724827840329809920 |