8-Acid Derivative of the Antitumour Agent Mitozolomide
The crystal structure of 3-(2-chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d][1,2,3,5]tetra zine-8- carboxylic acid, C7H6CIN5O3, a derivative of the novel bicyclic antitumour agent mitozolomide, 3-(2-chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d][1,2,3,5]tetra zine-8- carboxamide, has been determined at...
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| Veröffentlicht in: | Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 1995-05, Vol.51 (5), p.937-939 |
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| container_end_page | 939 |
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| container_issue | 5 |
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| container_title | Acta crystallographica. Section C, Crystal structure communications |
| container_volume | 51 |
| creator | Lowe, P. R. Schwalbe, C. H. |
| description | The crystal structure of 3-(2-chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d][1,2,3,5]tetra zine-8- carboxylic acid, C7H6CIN5O3, a derivative of the novel bicyclic antitumour agent mitozolomide, 3-(2-chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d][1,2,3,5]tetra zine-8- carboxamide, has been determined at 293 K. The expected dimer, hydrogen bonded via the two carboxyl groups, does not occur. In preference, the two molecules in the asymmetric unit utilize hydrogen bonding between the carboxyl group of one and the N atom and CH in the imidazo ring of the other. These two then further interact via the same scheme with their centrosymmetrically related pair to produce a fully hydrogen-bonded planar tetramer. |
| doi_str_mv | 10.1107/S0108270194012321 |
| format | Article |
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R. ; Schwalbe, C. H.</creator><creatorcontrib>Lowe, P. R. ; Schwalbe, C. H.</creatorcontrib><description>The crystal structure of 3-(2-chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d][1,2,3,5]tetra zine-8- carboxylic acid, C7H6CIN5O3, a derivative of the novel bicyclic antitumour agent mitozolomide, 3-(2-chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d][1,2,3,5]tetra zine-8- carboxamide, has been determined at 293 K. The expected dimer, hydrogen bonded via the two carboxyl groups, does not occur. In preference, the two molecules in the asymmetric unit utilize hydrogen bonding between the carboxyl group of one and the N atom and CH in the imidazo ring of the other. These two then further interact via the same scheme with their centrosymmetrically related pair to produce a fully hydrogen-bonded planar tetramer.</description><identifier>ISSN: 0108-2701</identifier><identifier>EISSN: 1600-5759</identifier><identifier>DOI: 10.1107/S0108270194012321</identifier><identifier>PMID: 7779325</identifier><identifier>CODEN: ACSCEE</identifier><language>eng</language><publisher>5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of Crystallography</publisher><subject>Antineoplastic agents ; Antineoplastic Agents - chemistry ; Biological and medical sciences ; Condensed matter: structure, mechanical and thermal properties ; Crystallization ; Crystallography, X-Ray ; Exact sciences and technology ; General aspects ; Heterocyclic compounds ; Hydrogen Bonding ; Macromolecular Substances ; Medical sciences ; Molecular Structure ; Nitrogen Mustard Compounds - chemistry ; Organic compounds ; Pharmacology. 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H.</creatorcontrib><title>8-Acid Derivative of the Antitumour Agent Mitozolomide</title><title>Acta crystallographica. Section C, Crystal structure communications</title><addtitle>Acta Cryst. C</addtitle><description>The crystal structure of 3-(2-chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d][1,2,3,5]tetra zine-8- carboxylic acid, C7H6CIN5O3, a derivative of the novel bicyclic antitumour agent mitozolomide, 3-(2-chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d][1,2,3,5]tetra zine-8- carboxamide, has been determined at 293 K. The expected dimer, hydrogen bonded via the two carboxyl groups, does not occur. In preference, the two molecules in the asymmetric unit utilize hydrogen bonding between the carboxyl group of one and the N atom and CH in the imidazo ring of the other. These two then further interact via the same scheme with their centrosymmetrically related pair to produce a fully hydrogen-bonded planar tetramer.</description><subject>Antineoplastic agents</subject><subject>Antineoplastic Agents - chemistry</subject><subject>Biological and medical sciences</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Crystallization</subject><subject>Crystallography, X-Ray</subject><subject>Exact sciences and technology</subject><subject>General aspects</subject><subject>Heterocyclic compounds</subject><subject>Hydrogen Bonding</subject><subject>Macromolecular Substances</subject><subject>Medical sciences</subject><subject>Molecular Structure</subject><subject>Nitrogen Mustard Compounds - chemistry</subject><subject>Organic compounds</subject><subject>Pharmacology. Drug treatments</subject><subject>Physics</subject><subject>Structure of solids and liquids; crystallography</subject><subject>Structure of specific crystalline solids</subject><issn>0108-2701</issn><issn>1600-5759</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1995</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqFkM1P3DAQxS1EBQvlD-CAlAPqLXTGxnFyDKGwrWh76AfiZHmdMRiSzWInfPSvJ6td7aUHTnN4v_dm5jF2iHCCCOrzL0DIuQIsTgG54LjFJpgBpFLJYptNlnK61HfZXoz3AMA5FztsRylVCC4nLMvT0vo6Oafgn0zvnyjpXNLfUVLOe98PbTeEpLyleZ989333r2u61tf0kX1wpol0sJ777M_Fl9_VNL36efm1Kq9Sy1UhU2cQszwramOdkVnNZ6QybmbWESebQ6HGkwqXm1oIzDkAEtnMnIIwrpASxT77tMpdhO5xoNjr1kdLTWPm1A1RKzU-DUKNIK5AG7oYAzm9CL414VUj6GVX-r-uRs_ROnyYtVRvHOtyRv14rZtoTeOCmVsfN5iQXKHkI5avsGff0Ov7e3V5U01LRLHckK6sPvb0srGa8KAzJZTU1z8udXVWVd_-Xky1FG8CaY3v</recordid><startdate>19950515</startdate><enddate>19950515</enddate><creator>Lowe, P. R.</creator><creator>Schwalbe, C. H.</creator><general>International Union of Crystallography</general><general>Blackwell</general><scope>BSCLL</scope><scope>IQODW</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>19950515</creationdate><title>8-Acid Derivative of the Antitumour Agent Mitozolomide</title><author>Lowe, P. R. ; Schwalbe, C. H.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c2795-fa116869dacfa56d2be762abcfe2ec80970009f8ad33182001eec6a403af95513</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1995</creationdate><topic>Antineoplastic agents</topic><topic>Antineoplastic Agents - chemistry</topic><topic>Biological and medical sciences</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Crystallization</topic><topic>Crystallography, X-Ray</topic><topic>Exact sciences and technology</topic><topic>General aspects</topic><topic>Heterocyclic compounds</topic><topic>Hydrogen Bonding</topic><topic>Macromolecular Substances</topic><topic>Medical sciences</topic><topic>Molecular Structure</topic><topic>Nitrogen Mustard Compounds - chemistry</topic><topic>Organic compounds</topic><topic>Pharmacology. Drug treatments</topic><topic>Physics</topic><topic>Structure of solids and liquids; crystallography</topic><topic>Structure of specific crystalline solids</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Lowe, P. R.</creatorcontrib><creatorcontrib>Schwalbe, C. H.</creatorcontrib><collection>Istex</collection><collection>Pascal-Francis</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Acta crystallographica. Section C, Crystal structure communications</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Lowe, P. R.</au><au>Schwalbe, C. H.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>8-Acid Derivative of the Antitumour Agent Mitozolomide</atitle><jtitle>Acta crystallographica. Section C, Crystal structure communications</jtitle><addtitle>Acta Cryst. C</addtitle><date>1995-05-15</date><risdate>1995</risdate><volume>51</volume><issue>5</issue><spage>937</spage><epage>939</epage><pages>937-939</pages><issn>0108-2701</issn><eissn>1600-5759</eissn><coden>ACSCEE</coden><abstract>The crystal structure of 3-(2-chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d][1,2,3,5]tetra zine-8- carboxylic acid, C7H6CIN5O3, a derivative of the novel bicyclic antitumour agent mitozolomide, 3-(2-chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d][1,2,3,5]tetra zine-8- carboxamide, has been determined at 293 K. The expected dimer, hydrogen bonded via the two carboxyl groups, does not occur. In preference, the two molecules in the asymmetric unit utilize hydrogen bonding between the carboxyl group of one and the N atom and CH in the imidazo ring of the other. These two then further interact via the same scheme with their centrosymmetrically related pair to produce a fully hydrogen-bonded planar tetramer.</abstract><cop>5 Abbey Square, Chester, Cheshire CH1 2HU, England</cop><pub>International Union of Crystallography</pub><pmid>7779325</pmid><doi>10.1107/S0108270194012321</doi><tpages>3</tpages></addata></record> |
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| ispartof | Acta crystallographica. Section C, Crystal structure communications, 1995-05, Vol.51 (5), p.937-939 |
| issn | 0108-2701 1600-5759 |
| language | eng |
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| source | MEDLINE; Crystallography Journals Online |
| subjects | Antineoplastic agents Antineoplastic Agents - chemistry Biological and medical sciences Condensed matter: structure, mechanical and thermal properties Crystallization Crystallography, X-Ray Exact sciences and technology General aspects Heterocyclic compounds Hydrogen Bonding Macromolecular Substances Medical sciences Molecular Structure Nitrogen Mustard Compounds - chemistry Organic compounds Pharmacology. Drug treatments Physics Structure of solids and liquids crystallography Structure of specific crystalline solids |
| title | 8-Acid Derivative of the Antitumour Agent Mitozolomide |
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