Pub Date : 2019-09-10DOI: 10.2116/xraystruct.35.55
Mari Toyama, K. Chayama
was also observed in a series of acyclic polythioethers. 5 The title compound consists of two parts: a protonated N -H-ATU cation, ( N -H 2 -ATU) + , and a Cl – anion. Two hydrogen atoms on the N1 atom connect with the counter anion, Cl – , The crystal structure of the title compound, 6-aza-3,9-dithiaundecane hydrochloride ( N -H-ATU·HCl), was determined by X-ray crystallography. The hydrogen-bonding networks in the crystal extend along with the b and c axes to form a 2D-triple-sheet, in which the Cl – ions put between two ( N -H 2 -ATU) + sheets. The compound was crystallized in an orthorhombic system as: Pccn , a = 25.0091(4), b = 5.39364(10), c = 9.37759(19)Å, Z = 4, V = 1264.94(4)Å 3 . The R 1 and wR 2 values were 0.0341 and 0.0880, respectively, for 1162 reflections.
在一系列无环聚硫醚中也观察到。标题化合物由两部分组成:质子化的N - h - atu阳离子(N - h 2 - atu) +和Cl -阴离子。N1原子上的两个氢原子与反阴离子Cl -连接,用x射线晶体学测定了标题化合物6-叠氮-3,9-二硫代十一烷盐酸盐(N - h - atu·HCl)的晶体结构。晶体中的氢键网络沿b轴和c轴延伸形成二维三层,其中Cl -离子位于两个(N - h2 - atu) +层之间。化合物在正交晶系中结晶为:Pccn, a = 25.0091(4), b = 5.39364(10), c = 9.37759(19)Å, Z = 4, V = 1264.94(4)Å 3。1162次反射的r1和wr2值分别为0.0341和0.0880。
{"title":"Crystal Structure of 6-Aza-3,9-dithiaundecane Hydrochloride","authors":"Mari Toyama, K. Chayama","doi":"10.2116/xraystruct.35.55","DOIUrl":"https://doi.org/10.2116/xraystruct.35.55","url":null,"abstract":"was also observed in a series of acyclic polythioethers. 5 The title compound consists of two parts: a protonated N -H-ATU cation, ( N -H 2 -ATU) + , and a Cl – anion. Two hydrogen atoms on the N1 atom connect with the counter anion, Cl – , The crystal structure of the title compound, 6-aza-3,9-dithiaundecane hydrochloride ( N -H-ATU·HCl), was determined by X-ray crystallography. The hydrogen-bonding networks in the crystal extend along with the b and c axes to form a 2D-triple-sheet, in which the Cl – ions put between two ( N -H 2 -ATU) + sheets. The compound was crystallized in an orthorhombic system as: Pccn , a = 25.0091(4), b = 5.39364(10), c = 9.37759(19)Å, Z = 4, V = 1264.94(4)Å 3 . The R 1 and wR 2 values were 0.0341 and 0.0880, respectively, for 1162 reflections.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2019-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44554342","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-10DOI: 10.2116/XRAYSTRUCT.35.39
T. Kiwada, H. Takayama, Hiromu Katakasu, A. Odani
The crystal structure of [ N -(9-anthracenylmethyl)-1,3-propanediamine](2,2 ′ -bipyridine)platinum(II) chloride was determined by X-ray crystallography. The title complex crystallized in the monoclinic space group P 21/ c and Z = 4 with cell parameters a = 11.2466(7)Å, b = 17.3553(10)Å, c = 13.7027(9)Å, β = 100.501(2) ° , V = 2629.8(3)Å 3 . [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0271 and 0.0619, respectively, for all 5995 independent reflections. The intramolecular π-π stacking interaction was observed between the anthracene and the bipyridine. In the crystal packing structure, the intermolecular π-π stacking interaction was observed. 2019)
{"title":"Crystal Structure of [N-(9-Anthracenylmethyl)-1,3-propanediamine](2,2′-bipyridine)platinum(II) Chloride","authors":"T. Kiwada, H. Takayama, Hiromu Katakasu, A. Odani","doi":"10.2116/XRAYSTRUCT.35.39","DOIUrl":"https://doi.org/10.2116/XRAYSTRUCT.35.39","url":null,"abstract":"The crystal structure of [ N -(9-anthracenylmethyl)-1,3-propanediamine](2,2 ′ -bipyridine)platinum(II) chloride was determined by X-ray crystallography. The title complex crystallized in the monoclinic space group P 21/ c and Z = 4 with cell parameters a = 11.2466(7)Å, b = 17.3553(10)Å, c = 13.7027(9)Å, β = 100.501(2) ° , V = 2629.8(3)Å 3 . [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0271 and 0.0619, respectively, for all 5995 independent reflections. The intramolecular π-π stacking interaction was observed between the anthracene and the bipyridine. In the crystal packing structure, the intermolecular π-π stacking interaction was observed. 2019)","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2019-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.2116/XRAYSTRUCT.35.39","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44655489","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-10DOI: 10.2116/XRAYSTRUCT.35.43
Chika Kurogi, T. Yonemura
The structure of β (Nprim)-[Co(aet)(trien)]Cl 2 [aet: 2-aminoethanethiolate, trien: triethylenetetramine] was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in a triclinic space group P 1 with a = 8.279(3), b = 10.673(5), c = 10.696(4)Å, α = 64.70(3), β = 95.76(3), γ = 91.17(4) ° , V = 849.9(6)Å 3 , D calcd = 1.552 g/cm 3 , Z = 2. The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0385 and 0.1145, respectively, for all 3913 independent reflections. Central cobalt(III) atoms have an approximate octahedral geometry and are coordinated by five nitrogen atoms and one sulfur atom. The obtained compound from the major eluate is in the β (Nprim) form in which the sulfur atom is present in the trans position to a primary nitrogen atom of the triethylenetetramine (trien).
{"title":"Crystal Structure of a Co(III) Complex with 2-Aminoethanethiol and Triethylenetetramine","authors":"Chika Kurogi, T. Yonemura","doi":"10.2116/XRAYSTRUCT.35.43","DOIUrl":"https://doi.org/10.2116/XRAYSTRUCT.35.43","url":null,"abstract":"The structure of β (Nprim)-[Co(aet)(trien)]Cl 2 [aet: 2-aminoethanethiolate, trien: triethylenetetramine] was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in a triclinic space group P 1 with a = 8.279(3), b = 10.673(5), c = 10.696(4)Å, α = 64.70(3), β = 95.76(3), γ = 91.17(4) ° , V = 849.9(6)Å 3 , D calcd = 1.552 g/cm 3 , Z = 2. The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0385 and 0.1145, respectively, for all 3913 independent reflections. Central cobalt(III) atoms have an approximate octahedral geometry and are coordinated by five nitrogen atoms and one sulfur atom. The obtained compound from the major eluate is in the β (Nprim) form in which the sulfur atom is present in the trans position to a primary nitrogen atom of the triethylenetetramine (trien).","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2019-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43232785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-06-10DOI: 10.2116/XRAYSTRUCT.35.35
T. Kiwada, Aika Hirasaki, A. Odani
The crystal structure of (2,2 ′ -bipyridine)( N -(1-naphthyl)methyl-1,3-propanediamine)platinum(II) chloride was determined by X-ray crystallography. The title complex crystallized in the monoclinic space group C 2/ c and Z = 8 with cell parameters a = 23.3026(14)Å, b = 17.4118(12)Å, c = 12.3816(7)Å, β = 109.032(8) ° , V = 4749.1(6)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0242 and 0.0490, respectively, for all 5435 independent reflections. In the crystal structure, disorder was observed for the N -(1-naphthyl)methyl-1,3-propanediamine moiety. Hydrogen-bond network was formed between the (2,2 ′ -bipyridine)( N -(1-naphthyl)methyl-1,3-propanediamine)platinum(II) cations and chloride anions.
{"title":"Crystal Structure of (2,2′-Bipyridine)(N-(1-naphthyl)methyl-1,3-propanediamine)platinum(II) Chloride","authors":"T. Kiwada, Aika Hirasaki, A. Odani","doi":"10.2116/XRAYSTRUCT.35.35","DOIUrl":"https://doi.org/10.2116/XRAYSTRUCT.35.35","url":null,"abstract":"The crystal structure of (2,2 ′ -bipyridine)( N -(1-naphthyl)methyl-1,3-propanediamine)platinum(II) chloride was determined by X-ray crystallography. The title complex crystallized in the monoclinic space group C 2/ c and Z = 8 with cell parameters a = 23.3026(14)Å, b = 17.4118(12)Å, c = 12.3816(7)Å, β = 109.032(8) ° , V = 4749.1(6)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0242 and 0.0490, respectively, for all 5435 independent reflections. In the crystal structure, disorder was observed for the N -(1-naphthyl)methyl-1,3-propanediamine moiety. Hydrogen-bond network was formed between the (2,2 ′ -bipyridine)( N -(1-naphthyl)methyl-1,3-propanediamine)platinum(II) cations and chloride anions.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2019-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48317773","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-05-10DOI: 10.2116/XRAYSTRUCT.35.31
Kaoru Shomura, R. Mitsuhashi, M. Mikuriya, Y. Kataoka, M. Handa, H. Sakiyama
X-ray method. The compound crystallized in the trigonal space group R 3 and Z = 3 with cell parameters a = 11.598(8)Å, c = 25.367(18)Å, V = 2955(4)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values were 0.0509 and 0.1565, respectively, for all 1630 independent reflections. The symmetry of the complex cation was found to belong to the S 6 point group, possessing a trigonally compressed octahedral coordination geometry with an O 6 donor set.
x射线方法。化合物在三角形空间群R 3和Z = 3中结晶,晶胞参数a = 11.598(8)Å, c = 25.367(18)Å, V = 2955(4)Å 3。1630个独立反射的R 1 [I > 2 σ (I)]和wR 2(所有数据)值分别为0.0509和0.1565。发现配合物阳离子的对称性属于s6点群,具有与o6给体集的三角压缩八面体配位几何。
{"title":"Crystal Structure of a Mononuclear Iron(III) Complex, Hexakis(dimethylsulfoxide-κO)iron(III) Tris(hexafluoridophosphate)","authors":"Kaoru Shomura, R. Mitsuhashi, M. Mikuriya, Y. Kataoka, M. Handa, H. Sakiyama","doi":"10.2116/XRAYSTRUCT.35.31","DOIUrl":"https://doi.org/10.2116/XRAYSTRUCT.35.31","url":null,"abstract":"X-ray method. The compound crystallized in the trigonal space group R 3 and Z = 3 with cell parameters a = 11.598(8)Å, c = 25.367(18)Å, V = 2955(4)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values were 0.0509 and 0.1565, respectively, for all 1630 independent reflections. The symmetry of the complex cation was found to belong to the S 6 point group, possessing a trigonally compressed octahedral coordination geometry with an O 6 donor set.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2019-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42326360","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-05-10DOI: 10.2116/XRAYSTRUCT.35.33
M. Mikuriya, Yoshiki Koyama, R. Mitsuhashi
X-ray quality crystals were grown by slow the data collected on a Bruker CCD X-ray diffractometer (SMART APEX) using graphite-monochromated Mo- K α radiation. Crystal data and data Table The structure was solved by an intrinsic phasing method and refined The title compound, 1,3-bis(5-chloro-3-methoxysalicylideneamino)-2-propanol trihydrate, was synthesized and the crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the monoclinic space group P 2/ c with a = 18.098(3)Å, b = 4.3275(8)Å, c = 14.572(3)Å, β = 104.283(3) ° , V = 1106.0(3)Å 3 , D x = 1.445 g/cm 3 ,
{"title":"Synthesis and Crystal Structure of 1,3-Bis(5-chloro-3-methoxysalicylideneamino)-2-propanol Trihydrate","authors":"M. Mikuriya, Yoshiki Koyama, R. Mitsuhashi","doi":"10.2116/XRAYSTRUCT.35.33","DOIUrl":"https://doi.org/10.2116/XRAYSTRUCT.35.33","url":null,"abstract":"X-ray quality crystals were grown by slow the data collected on a Bruker CCD X-ray diffractometer (SMART APEX) using graphite-monochromated Mo- K α radiation. Crystal data and data Table The structure was solved by an intrinsic phasing method and refined The title compound, 1,3-bis(5-chloro-3-methoxysalicylideneamino)-2-propanol trihydrate, was synthesized and the crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the monoclinic space group P 2/ c with a = 18.098(3)Å, b = 4.3275(8)Å, c = 14.572(3)Å, β = 104.283(3) ° , V = 1106.0(3)Å 3 , D x = 1.445 g/cm 3 ,","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2019-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43745348","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}