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N,N'-Bis([1,1'-biphen-yl]-2-yl)-N-hy-droxy-methanimidamide. N, N ' bis ([1,1 ' -biphen-yl] -N-hy-droxy-methanimidamide 2-yl)。
IUCrData Pub Date : 2025-09-30 eCollection Date: 2025-09-01 DOI: 10.1107/S2414314625008314
Elizabeth Lamothe, Arindam Saha, Garry S Hanan, Mihaela Cibian
{"title":"<i>N</i>,<i>N'</i>-Bis([1,1'-biphen-yl]-2-yl)-<i>N</i>-hy-droxy-methanimidamide.","authors":"Elizabeth Lamothe, Arindam Saha, Garry S Hanan, Mihaela Cibian","doi":"10.1107/S2414314625008314","DOIUrl":"https://doi.org/10.1107/S2414314625008314","url":null,"abstract":"<p><p>The title compound, C<sub>25</sub>H<sub>20</sub>N<sub>2</sub>O, crystallizes in the monoclinic <i>C</i>2/c space group, as the <i>N</i>-hy-droxy-formamidine isomer, in the <i>E</i> conformation (when referring to the C=N bond). Inversion dimers formed through pairwise O-H⋯N hydrogen bonds are present in the structure. C-H⋯π and π-π stacking inter-actions complete the crystal packing.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 9","pages":"x250831"},"PeriodicalIF":0.0,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498032/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Foreword to the CommDat special virtual issue on the raw diffraction data workshop and microsymposia at IUCr2023. 关于IUCr2023年原始衍射数据研讨会和微研讨会的CommDat特刊的前言。
IUCrData Pub Date : 2025-09-26 eCollection Date: 2025-09-01 DOI: 10.1107/S2414314625007096
Loes M J Kroon-Batenburg
{"title":"Foreword to the CommDat special virtual issue on the raw diffraction data workshop and microsymposia at IUCr2023.","authors":"Loes M J Kroon-Batenburg","doi":"10.1107/S2414314625007096","DOIUrl":"https://doi.org/10.1107/S2414314625007096","url":null,"abstract":"<p><p>Papers from the CommDat workshop on 'Raw Diffraction Data Reuse: the Good, the Bad and the Challenging' and microsymposia at the IUCr2023 Congress in Melbourne are presented.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 9","pages":"x250709"},"PeriodicalIF":0.0,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498027/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246226","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
catena-Poly[[bis-[tris-(4-meth-oxy-phen-yl)phosphine-κP]silver(I)]-μ-thio-cyanato-κ2 N:S]. catena-Poly[[二-三- (4-meth-oxy-phen-yl)磷化氢-κ[P]银(I)] -μ-thio-cyanato -κ2 N: S]。
IUCrData Pub Date : 2025-09-23 eCollection Date: 2025-09-01 DOI: 10.1107/S2414314625008065
Frederick P Malan, Kariska Potgieter, Reinout Meijboom
{"title":"<i>catena</i>-Poly[[bis-[tris-(4-meth-oxy-phen-yl)phosphine-κ<i>P</i>]silver(I)]-μ-thio-cyanato-κ<sup>2</sup> <i>N</i>:<i>S</i>].","authors":"Frederick P Malan, Kariska Potgieter, Reinout Meijboom","doi":"10.1107/S2414314625008065","DOIUrl":"https://doi.org/10.1107/S2414314625008065","url":null,"abstract":"<p><p>The coordination polymer, [Ag(NCS)(C<sub>21</sub>H<sub>21</sub>O<sub>3</sub>P)<sub>2</sub>] <sub><i>n</i></sub> or {[Ag(P(4-OMePh)<sub>3</sub>)<sub>2</sub>]-μ-NCS} <sub><i>n</i></sub> , features μ-thio-cyanato ligands bridging between neighbouring silver(I) atoms, generating chains along the <i>b</i>-axis direction. Each Ag<sup>I</sup> atom is four-coordinate, with two phospho-rus donors from two distinct tris-(<i>p</i>-meth-oxy-phen-yl)phosphine ligands, and two atoms from the thio-cyanato ligands in severely distorted tetra-hedral shape. The Ag-P [2.4331 (6) and 2.4625 (5) Å], Ag-N [2.339 (2) Å] and Ag-S [2.6760 (6) Å] bond lengths all appear within the expected ranges, with corresponding P-Ag-P and S-Ag-N angles of 129.610 (19) and 86.75 (6)°. In the crystal, the polymeric chains pack into layers parallel to (001) separated by the aryl groups of the phosphine ligands.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 9","pages":"x250806"},"PeriodicalIF":0.0,"publicationDate":"2025-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498030/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145245878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
4-[(4-Amino-phen-yl)sulfan-yl]aniline. 4 - [(4-Amino-phen-yl) sulfan-yl]苯胺。
IUCrData Pub Date : 2025-09-16 eCollection Date: 2025-09-01 DOI: 10.1107/S2414314625007953
Rao M Uppu, Ogad A Agu, Patrick F Mensah, Guoqiang Li, Frank R Fronczek
{"title":"4-[(4-Amino-phen-yl)sulfan-yl]aniline.","authors":"Rao M Uppu, Ogad A Agu, Patrick F Mensah, Guoqiang Li, Frank R Fronczek","doi":"10.1107/S2414314625007953","DOIUrl":"https://doi.org/10.1107/S2414314625007953","url":null,"abstract":"<p><p>The redetermined structure of the title compound, C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>S, was refined from low-temperature (100 K) single-crystal X-ray diffraction data. Although achiral, the compound crystallizes in Sohncke space group <i>P</i>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub> in a chiral conformation distorted from idealized <i>C</i> <sub>2</sub> symmetry and the dihedral angle between the phenyl groups is 72.01 (7)°. In the extended structure, the NH<sub>2</sub> substituents participate in N-H⋯S, N-H⋯N, and N-H⋯π inter-actions, leading to a three-dimensional hydrogen-bonded array. These results highlight the role of sulfur bridges in tuning packing inter-actions relevant to polymer design.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 9","pages":"x250795"},"PeriodicalIF":0.0,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498029/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246230","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
2-[2,5-Dimeth-oxy-4-(3-nitro-pyridin-2-yl)phen-yl]-3-nitro-pyridine. (2 - (2, 5-Dimeth-oxy-4) - 3-nitro-pyridin-2-yl phen-yl] 3-nitro-pyridine。
IUCrData Pub Date : 2025-09-11 eCollection Date: 2025-09-01 DOI: 10.1107/S2414314625007795
Mario Geffe, Heiner Detert, Dieter Schollmeyer
{"title":"2-[2,5-Dimeth-oxy-4-(3-nitro-pyridin-2-yl)phen-yl]-3-nitro-pyridine.","authors":"Mario Geffe, Heiner Detert, Dieter Schollmeyer","doi":"10.1107/S2414314625007795","DOIUrl":"https://doi.org/10.1107/S2414314625007795","url":null,"abstract":"<p><p>The title compound, C<sub>18</sub>H<sub>14</sub>N<sub>4</sub>O<sub>6</sub>, was prepared in a larger project on condensed heterocycles with a focus on the Cadogan reaction. Extension of this method to multiple Cadogan reactions was explored as a way to larger conjugated systems. A twofold Suzuki reaction on a central diboronic acid and chloro-nitro-pyridine gave the bis-(3-nitro-pyridin-2-yl)benzene.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 9","pages":"x250779"},"PeriodicalIF":0.0,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498025/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Diethyl 4,4'-{[1,2-phenyl-enebis(methyl-ene)]bis-(-oxy)}dibenzoate. 二乙基4,4’- {[1,2-phenyl-enebis (methyl-ene)] bis -(氧)}dibenzoate。
IUCrData Pub Date : 2025-09-09 eCollection Date: 2025-09-01 DOI: 10.1107/S2414314625007898
Sultana Shakila Khan, Md Belayet Hossain Howlader, Ennio Zangrando, Md Chanmiya Sheikh, Ryuta Miyatake
{"title":"Diethyl 4,4'-{[1,2-phenyl-enebis(methyl-ene)]bis-(-oxy)}dibenzoate.","authors":"Sultana Shakila Khan, Md Belayet Hossain Howlader, Ennio Zangrando, Md Chanmiya Sheikh, Ryuta Miyatake","doi":"10.1107/S2414314625007898","DOIUrl":"https://doi.org/10.1107/S2414314625007898","url":null,"abstract":"<p><p>The title compound, C<sub>26</sub>H<sub>26</sub>O<sub>6</sub>, consists of two methyl-ene(-oxy)ethyl-benzoate moieties in <i>ortho</i> position to a phenyl ring. The central phenyl ring is almost coplanar with one of the ethyl-benzoate fragments, which guarantees an electron delocalization within the mol-ecule, while it forms a dihedral angle of 57.4 (2)° with the other. This conformation is likely dictated by packing requirements.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 9","pages":"x250789"},"PeriodicalIF":0.0,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498031/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246159","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Magnesium aluminium zinc gallium, Mg61.81Al12.77Zn61.41Ga24. 镁铝锌镓，Mg61.81Al12.77Zn61.41Ga24。
IUCrData Pub Date : 2025-09-05 eCollection Date: 2025-09-01 DOI: 10.1107/S2414314625007709
Jingchao Yu, Changzeng Fan, Zhefeng Xu, Bin Wen, Lifeng Zhang
{"title":"Magnesium aluminium zinc gallium, Mg<sub>61.81</sub>Al<sub>12.77</sub>Zn<sub>61.41</sub>Ga<sub>24</sub>.","authors":"Jingchao Yu, Changzeng Fan, Zhefeng Xu, Bin Wen, Lifeng Zhang","doi":"10.1107/S2414314625007709","DOIUrl":"https://doi.org/10.1107/S2414314625007709","url":null,"abstract":"<p><p>The title single-crystal was obtained during the synthesis of a Mg-Al-Zn-Ga alloy, which was achieved by subjecting the alloy to elevated pressures and temperatures. The compound crystallizes in the space group <i>Im</i>3 (No. 204), with seven distinct metal-atom sites. One of these is occupied by gallium, two by aluminium and zinc, one by zinc and magnesium, and three by magnesium. The structure model contains a vacancy-centred Bergman cluster and a 26-face polyhedron centred on one of the magnesium sites. The crystal structure framework in this study shows a marked similarity to previously examined frameworks, but also evinces significant differences [Edagawa <i>et al.</i> (1992). <i>Philos. Mag. B</i> <b>65</b>, 1011-1023].</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 9","pages":"x250770"},"PeriodicalIF":0.0,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498033/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Di-chlorido-[2-(pyridin-2-yl-κN)-1,5-naphthyridine-κN 1]zinc(II). Di-chlorido - [2 - (pyridin-2-ylκN) -1,5-naphthyridine -κN [1] zinc (II) .
IUCrData Pub Date : 2025-09-05 eCollection Date: 2025-09-01 DOI: 10.1107/S2414314625007643
Kodai Tsubokawa, Takuro Iida, Kiyoshi Tsuge, Hideki Ohtsu
{"title":"Di-chlorido-[2-(pyridin-2-yl-κ<i>N</i>)-1,5-naphthyridine-κ<i>N</i> <sup>1</sup>]zinc(II).","authors":"Kodai Tsubokawa, Takuro Iida, Kiyoshi Tsuge, Hideki Ohtsu","doi":"10.1107/S2414314625007643","DOIUrl":"https://doi.org/10.1107/S2414314625007643","url":null,"abstract":"<p><p>The title zinc(II) complex, [ZnCl<sub>2</sub>(C<sub>13</sub>H<sub>9</sub>N<sub>3</sub>)], crystallizes in the triclinic space group <i>P</i>1. The coordination environment around the zinc(II) ion in the title complex can be described as a distorted tetra-hedron formed by the two N atoms of the NAD<sup>+</sup>/NADH model ligand pn [pn = 2-(pyridin-2-yl)[1,5]naphthyridine] and two Cl<sup>-</sup> ions. There are <i>π</i>-<i>π</i> stacking inter-actions in the crystal packing of the title compound.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 9","pages":"x250764"},"PeriodicalIF":0.0,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498035/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246145","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Poly[tetra-μ-cyanido-trans-bis-(di-methyl-formamide-κO)manganese(II)nickel(II)]. 聚(四-μ-cyanido-trans-bis (di-methyl-formamideκO)锰(II)镍(II)]。
IUCrData Pub Date : 2025-09-05 eCollection Date: 2025-09-01 DOI: 10.1107/S241431462500762X
Abderezak Addala, Zouaoui Setifi, Joel T Mague, Fatima Setifi, Mohammed Hadi Al-Douh
{"title":"Poly[tetra-μ-cyanido-<i>trans</i>-bis-(di-methyl-formamide-κ<i>O</i>)manganese(II)nickel(II)].","authors":"Abderezak Addala, Zouaoui Setifi, Joel T Mague, Fatima Setifi, Mohammed Hadi Al-Douh","doi":"10.1107/S241431462500762X","DOIUrl":"https://doi.org/10.1107/S241431462500762X","url":null,"abstract":"<p><p>In the crystal of the title compound, [MnNi(CN)<sub>4</sub>(C<sub>3</sub>H<sub>7</sub>NO)<sub>2</sub>] <sub><i>n</i></sub> , both metal cations lie on sites of 2/<i>m</i> symmetry, with the Ni<sup>II</sup> ion being four-coordinate square-planar and the Mn<sup>II</sup> ion being six-coordinate octa-hedral. Both coordination spheres are slightly distorted from the ideal shapes. The {C≡N→Mn} unit is distinctly non-linear and all four cyanido ligands on each [Ni(CN)<sub>4</sub>]<sup>2-</sup> unit coordinate to Mn<sup>II</sup> ions, leading to the formation of an infinite layer structure. Bond lengths and inter-bond angles are comparable to those in similar dimetallic, cyanido-bridged compounds.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 9","pages":"x250762"},"PeriodicalIF":0.0,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498034/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145246187","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
catena-Poly[[[bis-(quinoxaline-2-carboxyl-ato-κ2 N 1,O)zinc(II)]-μ2-1,2-bis-(pyridin-4-yl)ethene-κ2 N:N'] hemihydrate]. 链-聚[[[双-（喹啉-2-羧基- -κ 2n 1，O）锌（II）]-μ2-1,2-双-（吡啶-4-基）乙烯-κ 2n:N']半水合物]。
IUCrData Pub Date : 2025-09-05 eCollection Date: 2025-09-01 DOI: 10.1107/S2414314625007527
Rund I Shehadeh, Mason F Hester, Oliver A Cernero, Henry C Neal, Bradley W Smucker
{"title":"<i>catena</i>-Poly[[[bis-(quinoxaline-2-carboxyl-ato-κ<sup>2</sup> <i>N</i> <sup>1</sup>,<i>O</i>)zinc(II)]-μ<sub>2</sub>-1,2-bis-(pyridin-4-yl)ethene-κ<sup>2</sup> <i>N</i>:<i>N</i>'] hemihydrate].","authors":"Rund I Shehadeh, Mason F Hester, Oliver A Cernero, Henry C Neal, Bradley W Smucker","doi":"10.1107/S2414314625007527","DOIUrl":"https://doi.org/10.1107/S2414314625007527","url":null,"abstract":"<p><p>The title complex, {[Zn(C<sub>9</sub>H<sub>5</sub>N<sub>2</sub>O<sub>2</sub>)<sub>2</sub>(C<sub>12</sub>H<sub>10</sub>N<sub>2</sub>)]·0.5H<sub>2</sub>O} <sub><i>n</i></sub> , has six-coordinate Zn<sup>II</sup> ions with two <i>trans</i>-bidentate quinoxaline-2-carboxyl-ato ligands and a bridging 1,2-bis-(pyridin-4-yl)ethyl-ene ligand, resulting in polymeric chains along the [101] direction. The offset packing of these one-dimensional chains gives rise to inter-chain H⋯O and H⋯ring inter-actions.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 9","pages":"x250752"},"PeriodicalIF":0.0,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498026/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145245898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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