Structure of 1,1-dichloro-2-(4-methoxyphenyl)-2,3-diphenylcyclopropane
C22H18Cl2O, M(r) = 369.3, monoclinic, P2(1)/a, a = 16.585(1), b = 17.328(1), c = 13.192(3) A, beta = 107.443(8) degrees, V = 3616.8 A3, Z = 8, Dx = 1.356 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 3.2 cm-1, F(000) = 1536, T = 138 K, R = 0.039 for 5450 observed reflections. The structural features...
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| Veröffentlicht in: | Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 1992-05, Vol.48 (5), p.887-891 |
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| container_title | Acta crystallographica. Section C, Crystal structure communications |
| container_volume | 48 |
| creator | Du, L. Hossain, M. B. Ji, X. Van Der Helm, D. Magarian, R. A. Day, B. W. |
| description | C22H18Cl2O, M(r) = 369.3, monoclinic, P2(1)/a, a = 16.585(1), b = 17.328(1), c = 13.192(3) A, beta = 107.443(8) degrees, V = 3616.8 A3, Z = 8, Dx = 1.356 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 3.2 cm-1, F(000) = 1536, T = 138 K, R = 0.039 for 5450 observed reflections. The structural features of the two independent molecules are quite similar except in the orientation of the methoxy group. The cyclopropane ring shows the expected bond-length asymmetry with C(2)-C(3) as the longest bond. The two cis-arranged phenyl rings adopt similar conformations as observed in diaryl-cyclopropanes, with one ring in the bisecting position and the other near the perpendicular position. The conformation of the third aryl ring is also near the perpendicular position. The overall conformation of the three aryl rings is different from the helical propeller conformation consistently observed in tamoxifen and all other known tri(tetra)aryl-vinyl systems. |
| doi_str_mv | 10.1107/S0108270191011186 |
| format | Article |
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B. ; Ji, X. ; Van Der Helm, D. ; Magarian, R. A. ; Day, B. W.</creator><creatorcontrib>Du, L. ; Hossain, M. B. ; Ji, X. ; Van Der Helm, D. ; Magarian, R. A. ; Day, B. W.</creatorcontrib><description>C22H18Cl2O, M(r) = 369.3, monoclinic, P2(1)/a, a = 16.585(1), b = 17.328(1), c = 13.192(3) A, beta = 107.443(8) degrees, V = 3616.8 A3, Z = 8, Dx = 1.356 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 3.2 cm-1, F(000) = 1536, T = 138 K, R = 0.039 for 5450 observed reflections. The structural features of the two independent molecules are quite similar except in the orientation of the methoxy group. The cyclopropane ring shows the expected bond-length asymmetry with C(2)-C(3) as the longest bond. The two cis-arranged phenyl rings adopt similar conformations as observed in diaryl-cyclopropanes, with one ring in the bisecting position and the other near the perpendicular position. The conformation of the third aryl ring is also near the perpendicular position. The overall conformation of the three aryl rings is different from the helical propeller conformation consistently observed in tamoxifen and all other known tri(tetra)aryl-vinyl systems.</description><identifier>ISSN: 0108-2701</identifier><identifier>EISSN: 1600-5759</identifier><identifier>DOI: 10.1107/S0108270191011186</identifier><identifier>PMID: 1388936</identifier><identifier>CODEN: ACSCEE</identifier><language>eng</language><publisher>5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of Crystallography</publisher><subject>Aliphatic, non-condensed and condensed benzenic, and alicyclic compounds ; Chemical Phenomena ; Chemistry, Physical ; Condensed matter: structure, mechanical and thermal properties ; Crystallization ; Cyclopropanes - chemistry ; Estrogen Antagonists - chemistry ; Exact sciences and technology ; Molecular Structure ; Organic compounds ; Physics ; Structure of solids and liquids; crystallography ; Structure of specific crystalline solids ; Tamoxifen - chemistry ; X-Ray Diffraction</subject><ispartof>Acta crystallographica. Section C, Crystal structure communications, 1992-05, Vol.48 (5), p.887-891</ispartof><rights>1992 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,3972,27903,27904</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=5298688$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/1388936$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Du, L.</creatorcontrib><creatorcontrib>Hossain, M. B.</creatorcontrib><creatorcontrib>Ji, X.</creatorcontrib><creatorcontrib>Van Der Helm, D.</creatorcontrib><creatorcontrib>Magarian, R. A.</creatorcontrib><creatorcontrib>Day, B. W.</creatorcontrib><title>Structure of 1,1-dichloro-2-(4-methoxyphenyl)-2,3-diphenylcyclopropane</title><title>Acta crystallographica. Section C, Crystal structure communications</title><addtitle>Acta Cryst. C</addtitle><description>C22H18Cl2O, M(r) = 369.3, monoclinic, P2(1)/a, a = 16.585(1), b = 17.328(1), c = 13.192(3) A, beta = 107.443(8) degrees, V = 3616.8 A3, Z = 8, Dx = 1.356 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 3.2 cm-1, F(000) = 1536, T = 138 K, R = 0.039 for 5450 observed reflections. The structural features of the two independent molecules are quite similar except in the orientation of the methoxy group. The cyclopropane ring shows the expected bond-length asymmetry with C(2)-C(3) as the longest bond. The two cis-arranged phenyl rings adopt similar conformations as observed in diaryl-cyclopropanes, with one ring in the bisecting position and the other near the perpendicular position. The conformation of the third aryl ring is also near the perpendicular position. The overall conformation of the three aryl rings is different from the helical propeller conformation consistently observed in tamoxifen and all other known tri(tetra)aryl-vinyl systems.</description><subject>Aliphatic, non-condensed and condensed benzenic, and alicyclic compounds</subject><subject>Chemical Phenomena</subject><subject>Chemistry, Physical</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Crystallization</subject><subject>Cyclopropanes - chemistry</subject><subject>Estrogen Antagonists - chemistry</subject><subject>Exact sciences and technology</subject><subject>Molecular Structure</subject><subject>Organic compounds</subject><subject>Physics</subject><subject>Structure of solids and liquids; crystallography</subject><subject>Structure of specific crystalline solids</subject><subject>Tamoxifen - chemistry</subject><subject>X-Ray Diffraction</subject><issn>0108-2701</issn><issn>1600-5759</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1992</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqFkE1vEzEQhi1UlIbAD-gBqYcKgVTDjL3-OlYRSYGqIAKtOFler1fZdpMN9q7o_ns22qgceuBkWe_zzIxeQk4Q3iOC-rACBM0UoEFARC2fkSlKACqUMEdkuo_pPj8mL1K6AwDGGJ-QCXKtDZdTsli1sfNtF8NpU57iOdKi8uu6iQ1l9G1GN6FdNw_9bh22ff2OsnM-AOPP975udrHZuW14SZ6Xrk7h1eGdkZ-Ljz_ml_Tq6_LT_OKKei6zjPIARhSZC3mmygxBqJx7zpTIc1e4IHXOSmZY6dFnuuAMlCyNFiIYr10wnM_Im3HusPd3F1JrN1Xyoa6HG5ouWcVRGwlmAHEEfWxSiqG0u1htXOwtgt13Z590NzivD8O7fBOKf8ZY1pCfHXKXvKvL6La-So-YYEZLrQdMj9ifqg79__fai1_z5XdAlQ0qHdUqteHhUXXx3krFlbC310t7-1l--SavL-0N_wv06JOR</recordid><startdate>19920515</startdate><enddate>19920515</enddate><creator>Du, L.</creator><creator>Hossain, M. B.</creator><creator>Ji, X.</creator><creator>Van Der Helm, D.</creator><creator>Magarian, R. A.</creator><creator>Day, B. W.</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>19920515</creationdate><title>Structure of 1,1-dichloro-2-(4-methoxyphenyl)-2,3-diphenylcyclopropane</title><author>Du, L. ; Hossain, M. B. ; Ji, X. ; Van Der Helm, D. ; Magarian, R. A. ; Day, B. W.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c3644-3e095d4aeb47f41057b3c3275bbadae68b2f292fc1c48d32076f9855e9c8ae933</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1992</creationdate><topic>Aliphatic, non-condensed and condensed benzenic, and alicyclic compounds</topic><topic>Chemical Phenomena</topic><topic>Chemistry, Physical</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Crystallization</topic><topic>Cyclopropanes - chemistry</topic><topic>Estrogen Antagonists - chemistry</topic><topic>Exact sciences and technology</topic><topic>Molecular Structure</topic><topic>Organic compounds</topic><topic>Physics</topic><topic>Structure of solids and liquids; crystallography</topic><topic>Structure of specific crystalline solids</topic><topic>Tamoxifen - chemistry</topic><topic>X-Ray Diffraction</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Du, L.</creatorcontrib><creatorcontrib>Hossain, M. B.</creatorcontrib><creatorcontrib>Ji, X.</creatorcontrib><creatorcontrib>Van Der Helm, D.</creatorcontrib><creatorcontrib>Magarian, R. A.</creatorcontrib><creatorcontrib>Day, B. W.</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>Du, L.</au><au>Hossain, M. B.</au><au>Ji, X.</au><au>Van Der Helm, D.</au><au>Magarian, R. A.</au><au>Day, B. W.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Structure of 1,1-dichloro-2-(4-methoxyphenyl)-2,3-diphenylcyclopropane</atitle><jtitle>Acta crystallographica. Section C, Crystal structure communications</jtitle><addtitle>Acta Cryst. C</addtitle><date>1992-05-15</date><risdate>1992</risdate><volume>48</volume><issue>5</issue><spage>887</spage><epage>891</epage><pages>887-891</pages><issn>0108-2701</issn><eissn>1600-5759</eissn><coden>ACSCEE</coden><abstract>C22H18Cl2O, M(r) = 369.3, monoclinic, P2(1)/a, a = 16.585(1), b = 17.328(1), c = 13.192(3) A, beta = 107.443(8) degrees, V = 3616.8 A3, Z = 8, Dx = 1.356 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 3.2 cm-1, F(000) = 1536, T = 138 K, R = 0.039 for 5450 observed reflections. The structural features of the two independent molecules are quite similar except in the orientation of the methoxy group. The cyclopropane ring shows the expected bond-length asymmetry with C(2)-C(3) as the longest bond. The two cis-arranged phenyl rings adopt similar conformations as observed in diaryl-cyclopropanes, with one ring in the bisecting position and the other near the perpendicular position. The conformation of the third aryl ring is also near the perpendicular position. The overall conformation of the three aryl rings is different from the helical propeller conformation consistently observed in tamoxifen and all other known tri(tetra)aryl-vinyl systems.</abstract><cop>5 Abbey Square, Chester, Cheshire CH1 2HU, England</cop><pub>International Union of Crystallography</pub><pmid>1388936</pmid><doi>10.1107/S0108270191011186</doi><tpages>5</tpages></addata></record> |
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| ispartof | Acta crystallographica. Section C, Crystal structure communications, 1992-05, Vol.48 (5), p.887-891 |
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| source | MEDLINE; Crystallography Journals Online |
| subjects | Aliphatic, non-condensed and condensed benzenic, and alicyclic compounds Chemical Phenomena Chemistry, Physical Condensed matter: structure, mechanical and thermal properties Crystallization Cyclopropanes - chemistry Estrogen Antagonists - chemistry Exact sciences and technology Molecular Structure Organic compounds Physics Structure of solids and liquids crystallography Structure of specific crystalline solids Tamoxifen - chemistry X-Ray Diffraction |
| title | Structure of 1,1-dichloro-2-(4-methoxyphenyl)-2,3-diphenylcyclopropane |
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