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{"title":"(Z)-3′-(2-(1-(3,4-二甲基苯基)-3-甲基-5-氧代-1,5-二氢-4H-吡唑-4-亚基)肼基)-2′-羟基-[1,1′-联苯]-3-羧酸-甲醇(1/1),C26H26N4O5 的晶体结构","authors":"Xiao Guo, Tiejun Li, Xueli Cao, Wenhao Zhang","doi":"10.1515/ncrs-2024-0251","DOIUrl":null,"url":null,"abstract":"\n <jats:p xml:lang=\"ro\">C<jats:sub>26</jats:sub>H<jats:sub>26</jats:sub>N<jats:sub>4</jats:sub>O<jats:sub>5</jats:sub>, triclinic, <jats:italic>P</jats:italic>\n <jats:inline-formula id=\"j_ncrs-2024-0251_ineq_001\">\n <jats:alternatives>\n <m:math xmlns:m=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\">\n <m:mrow>\n <m:mover accent=\"true\">\n <m:mn>1</m:mn>\n <m:mo>‾</m:mo>\n </m:mover>\n </m:mrow>\n </m:math>\n <jats:tex-math>$\\overline{1}$</jats:tex-math>\n <jats:inline-graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" xlink:href=\"graphic/j_ncrs-2024-0251_ineq_001.png\"/>\n </jats:alternatives>\n </jats:inline-formula> (no. 2), <jats:italic>a</jats:italic> = 7.245(2) Å, <jats:italic>b</jats:italic> = 12.522(3) Å, <jats:italic>c</jats:italic> = 13.789(3) Å, <jats:italic>α</jats:italic> = 75.420(1)°, <jats:italic>β</jats:italic> = 79.628(1)°, γ = 83.226(1)°, <jats:italic>V</jats:italic> = 1,187.5(5) Å<jats:sup>3</jats:sup>, <jats:italic>Z</jats:italic> = 2, <jats:italic>R</jats:italic>\n <jats:sub>\n <jats:italic>gt</jats:italic>\n </jats:sub>(<jats:italic>F</jats:italic>) = 0.0467, w<jats:italic>R</jats:italic>\n <jats:sub>\n <jats:italic>ref</jats:italic>\n </jats:sub>(<jats:italic>F</jats:italic>\n <jats:sup>2</jats:sup>) = 0.1399, T = 298 K.</jats:p>","PeriodicalId":23885,"journal":{"name":"Zeitschrift für Kristallographie - New Crystal Structures","volume":"39 6","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The crystal structure of (Z)-3′-(2-(1-(3,4-dimethyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl)-2′-hydroxy-[1,1′-biphenyl]-3-carboxylicacid ─ methanol (1/1), C26H26N4O5\",\"authors\":\"Xiao Guo, Tiejun Li, Xueli Cao, Wenhao Zhang\",\"doi\":\"10.1515/ncrs-2024-0251\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\\n <jats:p xml:lang=\\\"ro\\\">C<jats:sub>26</jats:sub>H<jats:sub>26</jats:sub>N<jats:sub>4</jats:sub>O<jats:sub>5</jats:sub>, triclinic, <jats:italic>P</jats:italic>\\n <jats:inline-formula id=\\\"j_ncrs-2024-0251_ineq_001\\\">\\n <jats:alternatives>\\n <m:math xmlns:m=\\\"http://www.w3.org/1998/Math/MathML\\\" overflow=\\\"scroll\\\">\\n <m:mrow>\\n <m:mover accent=\\\"true\\\">\\n <m:mn>1</m:mn>\\n <m:mo>‾</m:mo>\\n </m:mover>\\n </m:mrow>\\n </m:math>\\n <jats:tex-math>$\\\\overline{1}$</jats:tex-math>\\n <jats:inline-graphic xmlns:xlink=\\\"http://www.w3.org/1999/xlink\\\" xlink:href=\\\"graphic/j_ncrs-2024-0251_ineq_001.png\\\"/>\\n </jats:alternatives>\\n </jats:inline-formula> (no. 2), <jats:italic>a</jats:italic> = 7.245(2) Å, <jats:italic>b</jats:italic> = 12.522(3) Å, <jats:italic>c</jats:italic> = 13.789(3) Å, <jats:italic>α</jats:italic> = 75.420(1)°, <jats:italic>β</jats:italic> = 79.628(1)°, γ = 83.226(1)°, <jats:italic>V</jats:italic> = 1,187.5(5) Å<jats:sup>3</jats:sup>, <jats:italic>Z</jats:italic> = 2, <jats:italic>R</jats:italic>\\n <jats:sub>\\n <jats:italic>gt</jats:italic>\\n </jats:sub>(<jats:italic>F</jats:italic>) = 0.0467, w<jats:italic>R</jats:italic>\\n <jats:sub>\\n <jats:italic>ref</jats:italic>\\n </jats:sub>(<jats:italic>F</jats:italic>\\n <jats:sup>2</jats:sup>) = 0.1399, T = 298 K.</jats:p>\",\"PeriodicalId\":23885,\"journal\":{\"name\":\"Zeitschrift für Kristallographie - New Crystal Structures\",\"volume\":\"39 6\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-08-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Zeitschrift für Kristallographie - New Crystal Structures\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1515/ncrs-2024-0251\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Zeitschrift für Kristallographie - New Crystal Structures","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1515/ncrs-2024-0251","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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The crystal structure of (Z)-3′-(2-(1-(3,4-dimethyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl)-2′-hydroxy-[1,1′-biphenyl]-3-carboxylicacid ─ methanol (1/1), C26H26N4O5
C26 H26 N4 O5 , triclinic, P
1
‾
$\overline{1}$
(no. 2), a = 7.245(2) Å, b = 12.522(3) Å, c = 13.789(3) Å, α = 75.420(1)°, β = 79.628(1)°, γ = 83.226(1)°, V = 1,187.5(5) Å3 , Z = 2, R
gt
(F ) = 0.0467, wR
ref
(F
2 ) = 0.1399, T = 298 K.