R. Ramasubramanian, Murugan Indrani, A. D. Stephen, P. Kumaradhas, B. Sridhar, S. Kumaresan
{"title":"质子转移自结合化合物四(胍)二(伊甘酸)六水化合物的晶体结构","authors":"R. Ramasubramanian, Murugan Indrani, A. D. Stephen, P. Kumaradhas, B. Sridhar, S. Kumaresan","doi":"10.2116/ANALSCIX.24.X243","DOIUrl":null,"url":null,"abstract":"A co-crystal of tetrakis(guanidinium) bis(eosinate) hexahydrate (I) was synthesized, and the molecular and crystal structures of (I) were determined by a single-crystal X-ray diffraction technique. The crystal system is triclinic with a space group of P1 and Z = 4. The unit-cell dimensions are a = 14.4774(8)A, b = 14.7735(8)A, c = 15.9316(1)A, with α = 64.739(1)°, β = 70.185(1)°, γ = 70.185(1)°, V = 2871.22(17)A3. The final R value is 0.0462 for 9198 observed reflections (I > 2σ(I)). The crystal packing is predominantly stabilized by hydrogen-bond interactions.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"21 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"Crystal Structure of a Proton-Transfer Self-associated Compound Tetrakis(guanidinium)bis(eosinate) hexahydrate\",\"authors\":\"R. Ramasubramanian, Murugan Indrani, A. D. Stephen, P. Kumaradhas, B. Sridhar, S. Kumaresan\",\"doi\":\"10.2116/ANALSCIX.24.X243\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A co-crystal of tetrakis(guanidinium) bis(eosinate) hexahydrate (I) was synthesized, and the molecular and crystal structures of (I) were determined by a single-crystal X-ray diffraction technique. The crystal system is triclinic with a space group of P1 and Z = 4. The unit-cell dimensions are a = 14.4774(8)A, b = 14.7735(8)A, c = 15.9316(1)A, with α = 64.739(1)°, β = 70.185(1)°, γ = 70.185(1)°, V = 2871.22(17)A3. The final R value is 0.0462 for 9198 observed reflections (I > 2σ(I)). The crystal packing is predominantly stabilized by hydrogen-bond interactions.\",\"PeriodicalId\":7796,\"journal\":{\"name\":\"Analytical Sciences: X-ray Structure Analysis Online\",\"volume\":\"21 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2008-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Analytical Sciences: X-ray Structure Analysis Online\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2116/ANALSCIX.24.X243\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Analytical Sciences: X-ray Structure Analysis Online","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2116/ANALSCIX.24.X243","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 2
摘要
合成了六水四(胍)双(伊甘酸)共晶(I),并用单晶x射线衍射技术测定了(I)的分子结构和晶体结构。晶体体系为三斜晶系,空间群为P1和Z = 4。单元胞尺寸为a = 14.4774(8) a, b = 14.7735(8) a, c = 15.9316(1) a, α = 64.739(1)°,β = 70.185(1)°,γ = 70.185(1)°,V = 2871.22(17)A3。9198次反射的最终R值为0.0462 (I > 2σ(I))。晶体填充物主要由氢键相互作用来稳定。
Crystal Structure of a Proton-Transfer Self-associated Compound Tetrakis(guanidinium)bis(eosinate) hexahydrate
A co-crystal of tetrakis(guanidinium) bis(eosinate) hexahydrate (I) was synthesized, and the molecular and crystal structures of (I) were determined by a single-crystal X-ray diffraction technique. The crystal system is triclinic with a space group of P1 and Z = 4. The unit-cell dimensions are a = 14.4774(8)A, b = 14.7735(8)A, c = 15.9316(1)A, with α = 64.739(1)°, β = 70.185(1)°, γ = 70.185(1)°, V = 2871.22(17)A3. The final R value is 0.0462 for 9198 observed reflections (I > 2σ(I)). The crystal packing is predominantly stabilized by hydrogen-bond interactions.