Runa Shimazaki , Masaaki Sadakiyo , E. R. T. Tiekink (Editor)
{"title":"苯甲酸乙啶甲醇单溶液","authors":"Runa Shimazaki , Masaaki Sadakiyo , E. R. T. Tiekink (Editor)","doi":"10.1107/S241431462400302X","DOIUrl":null,"url":null,"abstract":"<div><p>The crystal structure of a new ethidium salt has been determined. Two ethidium cations self-associate to form a dimer through π–π interactions.</p></div><div><p>In the title salt solvate (systematic name: 8-amino-5-ethyl-6-phenylphenanthridin-5-ium benzoate methanol monosolvate), C<sub>21</sub>H<sub>20</sub>N<sub>3</sub> <sup>+</sup>·C<sub>6</sub>H<sub>5</sub>CO<sub>2</sub> <sup>−</sup>·CH<sub>3</sub>OH, two ethidium cations, C<sub>21</sub>H<sub>20</sub>N<sub>3</sub> <sup>+</sup>, dimerize about a twofold axis through π–π interactions [inter-centroid separation = 3.6137 (4) Å]. The benzoate anions are connected through hydrogen bonding with the –NH<sub>2</sub> groups of the ethidium cations and the –OH group of the MeOH molecule. The MeOH molecule also accepts a hydrogen bond from the –NH<sub>2</sub> group of the ethidium cation. The result is a one-dimensional hydrogen-bonded chain along the <em>b-</em>axis direction. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (225KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 4","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Ethidium benzoate methanol monosolvate\",\"authors\":\"Runa Shimazaki , Masaaki Sadakiyo , E. R. T. Tiekink (Editor)\",\"doi\":\"10.1107/S241431462400302X\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The crystal structure of a new ethidium salt has been determined. Two ethidium cations self-associate to form a dimer through π–π interactions.</p></div><div><p>In the title salt solvate (systematic name: 8-amino-5-ethyl-6-phenylphenanthridin-5-ium benzoate methanol monosolvate), C<sub>21</sub>H<sub>20</sub>N<sub>3</sub> <sup>+</sup>·C<sub>6</sub>H<sub>5</sub>CO<sub>2</sub> <sup>−</sup>·CH<sub>3</sub>OH, two ethidium cations, C<sub>21</sub>H<sub>20</sub>N<sub>3</sub> <sup>+</sup>, dimerize about a twofold axis through π–π interactions [inter-centroid separation = 3.6137 (4) Å]. The benzoate anions are connected through hydrogen bonding with the –NH<sub>2</sub> groups of the ethidium cations and the –OH group of the MeOH molecule. The MeOH molecule also accepts a hydrogen bond from the –NH<sub>2</sub> group of the ethidium cation. The result is a one-dimensional hydrogen-bonded chain along the <em>b-</em>axis direction. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (225KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>\",\"PeriodicalId\":94324,\"journal\":{\"name\":\"IUCrData\",\"volume\":\"9 4\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-04-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"IUCrData\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2414314624000257\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2414314624000257","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
The crystal structure of a new ethidium salt has been determined. Two ethidium cations self-associate to form a dimer through π–π interactions.
In the title salt solvate (systematic name: 8-amino-5-ethyl-6-phenylphenanthridin-5-ium benzoate methanol monosolvate), C21H20N3+·C6H5CO2−·CH3OH, two ethidium cations, C21H20N3+, dimerize about a twofold axis through π–π interactions [inter-centroid separation = 3.6137 (4) Å]. The benzoate anions are connected through hydrogen bonding with the –NH2 groups of the ethidium cations and the –OH group of the MeOH molecule. The MeOH molecule also accepts a hydrogen bond from the –NH2 group of the ethidium cation. The result is a one-dimensional hydrogen-bonded chain along the b-axis direction.
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