Crystal structure of tamsulosin hydrochloride, C20H29N2O5SCl
The crystal structure of tamsulosin hydrochloride has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Tamsulosin hydrochloride crystallizes in space group P21 (#4) with a = 7.62988(2), b = 9.27652(2), c = 31.84996(12) Å, β =...
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| Veröffentlicht in: | Powder diffraction 2021-06, Vol.36 (2), p.85-91 |
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| creator | Patel, Nilan V. Golab, Joseph T. Kaduk, James A. Gindhart, Amy M. Blanton, Thomas N. |
| description | The crystal structure of tamsulosin hydrochloride has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Tamsulosin hydrochloride crystallizes in space group P21 (#4) with a = 7.62988(2), b = 9.27652(2), c = 31.84996(12) Å, β = 93.2221(2)°, V = 2250.734(7) Å3, and Z = 4. In the crystal structure, two arene rings are connected by a carbon chain oriented roughly parallel to the c-axis. The crystal structure is characterized by two slabs of tamsulosin hydrochloride molecules perpendicular to the c-axis. As expected, each of the hydrogens on the protonated nitrogen atoms makes a strong hydrogen bond to one of the chloride anions. The result is to link the cations and anions into columns along the b-axis. One hydrogen atom of each sulfonamide group also makes a hydrogen bond to a chloride anion. The other hydrogen atom of each sulfonamide group forms bifurcated hydrogen bonds to two ether oxygen atoms. The powder pattern is included in the Powder Diffraction File™ as entry 00-065-1415. |
| doi_str_mv | 10.1017/S0885715621000129 |
| format | Article |
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Tamsulosin hydrochloride crystallizes in space group P21 (#4) with a = 7.62988(2), b = 9.27652(2), c = 31.84996(12) Å, β = 93.2221(2)°, V = 2250.734(7) Å3, and Z = 4. In the crystal structure, two arene rings are connected by a carbon chain oriented roughly parallel to the c-axis. The crystal structure is characterized by two slabs of tamsulosin hydrochloride molecules perpendicular to the c-axis. As expected, each of the hydrogens on the protonated nitrogen atoms makes a strong hydrogen bond to one of the chloride anions. The result is to link the cations and anions into columns along the b-axis. One hydrogen atom of each sulfonamide group also makes a hydrogen bond to a chloride anion. The other hydrogen atom of each sulfonamide group forms bifurcated hydrogen bonds to two ether oxygen atoms. 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The powder pattern is included in the Powder Diffraction File™ as entry 00-065-1415.</description><subject>Agreements</subject><subject>Anions</subject><subject>Chlorides</subject><subject>Columns (structural)</subject><subject>Crystal structure</subject><subject>Diffraction patterns</subject><subject>Geometry</subject><subject>Hydrogen</subject><subject>Hydrogen bonds</subject><subject>Molecular chains</subject><subject>New Diffraction Data</subject><subject>Nitrogen atoms</subject><subject>Oxygen atoms</subject><subject>Pharmaceuticals</subject><subject>Sulfonamides</subject><subject>Synchrotron radiation</subject><subject>Synchrotrons</subject><subject>X ray powder diffraction</subject><issn>0885-7156</issn><issn>1945-7413</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><sourceid>BENPR</sourceid><recordid>eNplkD1PwzAYhC0EEqHwA9gisRLw-_orllhQBBSpokNhjhzHpq3SBmxn6L8nUZEYmG64R3enI-Qa6B1QUPcrWpZCgZAIlFJAfUIy0FwUigM7JdlkF5N_Ti5i3I4IlAIz8lCFQ0ymy2MKg01DcHnv82R2cej6uNnn60Mbervu-rBp3W1eIZ2jfsOlWFXdJTnzpovu6ldn5OP56b2aF4vly2v1uCgsCJWKxjkuG3QAHpArbbT1lDmqPAAo27aea-m4UtZIJaS02CKaknmPsjTKsRm5OeZ-hf57cDHV234I-7GyRsGEkiA1jhQ7UtbsmnHtp_vDgNbTTfW_m9gPjmNYZA</recordid><startdate>202106</startdate><enddate>202106</enddate><creator>Patel, Nilan V.</creator><creator>Golab, Joseph T.</creator><creator>Kaduk, James A.</creator><creator>Gindhart, Amy M.</creator><creator>Blanton, Thomas N.</creator><general>Cambridge University Press</general><scope>7SR</scope><scope>8BQ</scope><scope>8FD</scope><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>AFKRA</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>JG9</scope><scope>KB.</scope><scope>PDBOC</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>S0W</scope><orcidid>https://orcid.org/0000-0001-6610-541X</orcidid><orcidid>https://orcid.org/0000-0002-9506-7237</orcidid></search><sort><creationdate>202106</creationdate><title>Crystal structure of tamsulosin hydrochloride, C20H29N2O5SCl</title><author>Patel, Nilan V. ; 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Tamsulosin hydrochloride crystallizes in space group P21 (#4) with a = 7.62988(2), b = 9.27652(2), c = 31.84996(12) Å, β = 93.2221(2)°, V = 2250.734(7) Å3, and Z = 4. In the crystal structure, two arene rings are connected by a carbon chain oriented roughly parallel to the c-axis. The crystal structure is characterized by two slabs of tamsulosin hydrochloride molecules perpendicular to the c-axis. As expected, each of the hydrogens on the protonated nitrogen atoms makes a strong hydrogen bond to one of the chloride anions. The result is to link the cations and anions into columns along the b-axis. One hydrogen atom of each sulfonamide group also makes a hydrogen bond to a chloride anion. The other hydrogen atom of each sulfonamide group forms bifurcated hydrogen bonds to two ether oxygen atoms. The powder pattern is included in the Powder Diffraction File™ as entry 00-065-1415.</abstract><cop>New York, USA</cop><pub>Cambridge University Press</pub><doi>10.1017/S0885715621000129</doi><tpages>7</tpages><orcidid>https://orcid.org/0000-0001-6610-541X</orcidid><orcidid>https://orcid.org/0000-0002-9506-7237</orcidid></addata></record> |
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| subjects | Agreements Anions Chlorides Columns (structural) Crystal structure Diffraction patterns Geometry Hydrogen Hydrogen bonds Molecular chains New Diffraction Data Nitrogen atoms Oxygen atoms Pharmaceuticals Sulfonamides Synchrotron radiation Synchrotrons X ray powder diffraction |
| title | Crystal structure of tamsulosin hydrochloride, C20H29N2O5SCl |
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