IUCrDataPub Date : 2025-05-01DOI: 10.1107/S2414314625003839
Claire E. Welton , Eric W. Reinheimer , Bradley W. Smucker
{"title":"Bis(4,4′-bipyridin-1-ium) cis-bis(1,2-dicyano-2-sulfidoethene-1-sulfinato-κ2S,S′)platinate(2−)","authors":"Claire E. Welton , Eric W. Reinheimer , Bradley W. Smucker","doi":"10.1107/S2414314625003839","DOIUrl":"10.1107/S2414314625003839","url":null,"abstract":"<div><div>The crystal structure of the title sulfinate-containing platinate salt features cationic chains composed of 4,4′-bipyridin-1-ium surrounding slipped-stacked anions of platinum doubly chelated by a sulfinato ligand.</div></div><div><div>Crystals of the sulfinate-containing platinate salt, (C<sub>10</sub>H<sub>9</sub>N<sub>2</sub>)<sub>2</sub>[Pt(C<sub>4</sub>N<sub>2</sub>O<sub>2</sub>S<sub>2</sub>)<sub>2</sub>], were obtained from a solution of [Pt(4,4′-bpy)<sub>2</sub>(mnt)] after a long period with minimal light (4,4′-bpy is 4,4′-bipyridine and mnt is maleonitriledithiolate). In the crystals, the cations associate via C—H⋯O hydrogen bonds with hydrogen bonded (—H⋯) chains of pyridinium anions. The <em>cis</em>-geometry of the sulfinate around the square-planar platinum atom, coupled with a torsion of one of the rings of the pyridinium, engenders multiple hydrogen bonds between the sulfinate oxygen atoms and the pyridinium hydrogen atoms.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (278KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144251683","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}
IUCrDataPub Date : 2025-05-01DOI: 10.1107/S241431462500478X
Joseph Tsemeugne , Didier Forest Kouganou Djossu , Dieter Schollmeyer , Pierre Mkounga
{"title":"2-Amino-6-nitro-1,3-benzothiazol-3-ium 3-carboxy-4-hydroxybenzene-1-sulfonate","authors":"Joseph Tsemeugne , Didier Forest Kouganou Djossu , Dieter Schollmeyer , Pierre Mkounga","doi":"10.1107/S241431462500478X","DOIUrl":"10.1107/S241431462500478X","url":null,"abstract":"<div><div>In the title salt, the cation is protonated at the thiazole N atom and in the anion, the sulfonate group is deprotonated and an intramolecular O—H⋯O hydrogen bond occurs. In the crystal, cation-to-anion N—H⋯O and anion-to-anion O—H⋯O hydrogen bonds link the component ions into (101) sheets.</div></div><div><div>In the title salt, C<sub>7</sub>H<sub>6</sub>N<sub>3</sub>O<sub>2</sub>S<sup>+</sup>·C<sub>7</sub>H<sub>5</sub>O<sub>6</sub>S<sup>−</sup>, the cation is protonated at the thiazole N atom and the dihedral angle between the nitro group and its attached benzene ring is 3.6 (4)°. In the anion, the sulfonate group is deprotonated and the dihedral angle between the carboxylic acid grouping and its attached ring is 7.1 (4)° and an intramolecular O—H⋯O hydrogen bond occurs. In the crystal, cation-to-anion N—H⋯O and anion-to-anion O—H⋯O hydrogen bonds link the component ions into (101) sheets. Aromatic π–π stacking and weak C—H⋯O and C—H⋯S interactions also occur.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (220KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144251680","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}
IUCrDataPub Date : 2025-05-01DOI: 10.1107/S2414314625003840
Rao M. Uppu , Ogad A. Agu , Sainath Babu , Patrick F. Mensah , Frank R. Fronczek
{"title":"N,N′-[Oxybis(benzene-4,1-diyl)]diacetamide","authors":"Rao M. Uppu , Ogad A. Agu , Sainath Babu , Patrick F. Mensah , Frank R. Fronczek","doi":"10.1107/S2414314625003840","DOIUrl":"10.1107/S2414314625003840","url":null,"abstract":"<div><div>In the title compound, the phenyl groups are twisted away from coplanarity with the ether linkage, forming a dihedral angle of 59.49 (4)° with each other. In the crystal, the acetamide N—H groups form intermolecular N—H⋯O hydrogen bonds to acetamide O atom, with both NH groups donating to the same molecule. Thus, ladder-like chains exist in the [101] direction.</div></div><div><div>In the title compound, C<sub>16</sub>H<sub>16</sub>N<sub>2</sub>O<sub>3</sub>, the phenyl groups are twisted away from coplanarity with the ether linkage, forming a dihedral angle of 59.49 (4)° with each other. The ether oxygen atom lies somewhat out of both phenyl planes, by 0.066 (2) and 0.097 (2) Å. The acetamide substituents have quite different conformations with respect to the phenyl groups on either side of the molecule. On one side, the C—C—N—C torsion angle is 21.0 (2)°, while on the other side it is 76.4 (2)°. In the crystal, the acetamide N—H groups form intermolecular N—H⋯O hydrogen bonds to acetamide O atom, with both NH groups donating to the same molecule. Thus, ladder-like chains exist in the [101] direction. One of the methyl groups has its H atoms disordered into two orientations, and the crystal chosen for data collection was found to be twinned.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (193KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144251775","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}
IUCrDataPub Date : 2025-04-01DOI: 10.1107/S2414314625003062
Jingchao Yu , Yibo Liu , Huizi Liu , Bin Wen , Lifeng Zhang , Changzeng Fan
{"title":"Mg20.66Al12.24Zn20.04","authors":"Jingchao Yu , Yibo Liu , Huizi Liu , Bin Wen , Lifeng Zhang , Changzeng Fan","doi":"10.1107/S2414314625003062","DOIUrl":"10.1107/S2414314625003062","url":null,"abstract":"<div><div>The title single-crystal (icosamagnesium dodecaaluminium icosazinc), was obtained during the synthesis of an Mg–Al–Zn alloy at high pressure and temperature. There are significant difference between the current model and that of previous studies.</div></div><div><div>The title single-crystal (icosamagnesium dodecaaluminium icosazinc), was obtained during the synthesis of an Mg–Al–Zn alloy at high pressure and temperature. It crystallizes in space group <em>Im</em>3 (No. 204) with seven distinct metal-atom sites: three are occupied by aluminium and zinc, one by zinc and magnesium and three by magnesium (two partially occupied). One of the Al/Zn sites has icosahedral coordination. There are significant difference between the current model and that of previous studies [Montagné & Tillard (2016<span><span>#</span></span>). <em>J. Alloys Compd.</em><strong>656</strong>, 159–165].<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (192KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144049594","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}
IUCrDataPub Date : 2025-04-01DOI: 10.1107/S2414314625003050
Junhui Li , Huizi Liu , Yibo Liu , Bin Wen , Lifeng Zhang , Changzeng Fan
{"title":"Nonamagnesium diruthenium, Mg9Ru2","authors":"Junhui Li , Huizi Liu , Yibo Liu , Bin Wen , Lifeng Zhang , Changzeng Fan","doi":"10.1107/S2414314625003050","DOIUrl":"10.1107/S2414314625003050","url":null,"abstract":"<div><div>A monoclinic ordered Mg<sub>9</sub>Ru<sub>2</sub> phase with <em>C</em>2<em>/c</em> space-group symmetry rather than previously reported cubic Mg<sub>44</sub>Ru<sub>7</sub> or Mg<sub>3</sub>Ru<sub>2</sub> was obtained <em>via</em> high-pressure sintering during the effort of synthesizing a target Mg—Ru—B compound.</div></div><div><div>A monoclinic phase with chemical composition of Mg<sub>9</sub>Ru<sub>2</sub>, nonamagnesium diruthenium, was obtained through high-pressure sintering of a mixture with an initial chemical composition of MgRuB. The Mg<sub>9</sub>Ru<sub>2</sub> phase crystallizes in the <em>C</em>2<em>/c</em> space group with <em>Z</em> = 8 and is isotypic with the previously reported In<sub>0.74</sub>Ir<sub>3.3</sub>Mg<sub>17.96</sub> and In<sub>1.9</sub>Ir<sub>3</sub>Mg<sub>17.1</sub> phases.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (159KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144047225","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}
IUCrDataPub Date : 2025-04-01DOI: 10.1107/S2414314625002962
Frederick P. Malan , Kariska Potgieter , Reinout Meijboom
{"title":"(Nitrito-κ2O:O′)bis[tris(4-fluorophenyl)phosphine-κP]silver(I)","authors":"Frederick P. Malan , Kariska Potgieter , Reinout Meijboom","doi":"10.1107/S2414314625002962","DOIUrl":"10.1107/S2414314625002962","url":null,"abstract":"<div><div>The significant structural feature in the title Ag<sup>I</sup> complex is the small bite angle of the nitrito ligand [49.80 (5)°], which influences the overall geometry.</div></div><div><div>The molecular structure of the title Ag<sup>I</sup> complex, [Ag(NO<sub>2</sub>)(C<sub>18</sub>H<sub>12</sub>F<sub>3</sub>P)<sub>2</sub>], features a distorted tetrahedral geometry about the central Ag<sup>I</sup> atom, with a total range of bond angles spanning from 49.80 (5) to 114.92 (1)°. The distortion arises primarily due to the small bite angle [49.80 (5)°] of the nitrito ligand. The compound crystallizes with one molecule in the asymmetric unit, in the space group <em>P</em>2<sub>1</sub>/<em>n</em>, with <em>Z</em> = 4 and <em>Z</em>′ = 1.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (364KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144035588","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}
IUCrDataPub Date : 2025-04-01DOI: 10.1107/S2414314625003499
Marcel Sonneck , Anke Spannenberg , Sebastian Wohlrab , Tim Peppel
{"title":"3-Chloropropiophenone","authors":"Marcel Sonneck , Anke Spannenberg , Sebastian Wohlrab , Tim Peppel","doi":"10.1107/S2414314625003499","DOIUrl":"10.1107/S2414314625003499","url":null,"abstract":"<div><div>The title compound, 3-chloropropiophenone C<sub>9</sub>H<sub>9</sub>ClO, consists of an almost planar molecule that is charaterized by very small torsion angles within the alkyl side chain (torsion angles < 6.3°).</div></div><div><div>The title compound, 3-chloropropiophenone (or 3-chloro-1-phenylpropan-1-one), C<sub>9</sub>H<sub>9</sub>ClO, consists of an almost planar molecule that is charaterized by very small torsion angles within the alkyl side chain (torsion angles < 6.3°). No hydrogen bonds are observed in the crystal packing. The compound exhibits a melting point of 54°C.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (183KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144039616","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}
IUCrDataPub Date : 2025-04-01DOI: 10.1107/S2414314625003372
Carren Nyapola , Sizwe J. Zamisa , Bernard Omondi , Eric M. Njogu
{"title":"5-Acetyl-2-amino-4-(2-fluorophenyl)-6-methyl-4H-pyran-3-carbonitrile dichlomethane hemisolvate","authors":"Carren Nyapola , Sizwe J. Zamisa , Bernard Omondi , Eric M. Njogu","doi":"10.1107/S2414314625003372","DOIUrl":"10.1107/S2414314625003372","url":null,"abstract":"<div><div>A two-dimensional supramolecular architecture mediated by N—H⋯N and N—H⋯O hydrogen bonds is formed in the crystal of the title compound.</div></div><div><div>The title compound, 2C<sub>15</sub>H<sub>13</sub>FN<sub>2</sub>O<sub>2</sub>·CH<sub>2</sub>Cl<sub>2</sub>, crystallizes with two main molecules in the asymmetric unit with a disordered dichloromethane solvent molecule. The dihedral angles between the fluoro phenyl ring and 4<em>H</em>-pyran ring are 74.36 (15) and 80.69 (15)° in the two molecules. In the crystal, N—H⋯N and N—H⋯O hydrogen bonds link the molecules into a two-dimensional supramolecular network propagating in the (100) plane.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (310KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144047587","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}
IUCrDataPub Date : 2025-04-01DOI: 10.1107/S241431462500361X
Izarul Islam , Pijush Kanti Roy , Ennio Zangrando , Pran Gopal Karmaker , Harendra Nath Roy
{"title":"4,4-Dimethyl-2-phenyl-4,5-dihydropyrrolo[2,3,4-kl]acridin-1(2H)-one","authors":"Izarul Islam , Pijush Kanti Roy , Ennio Zangrando , Pran Gopal Karmaker , Harendra Nath Roy","doi":"10.1107/S241431462500361X","DOIUrl":"10.1107/S241431462500361X","url":null,"abstract":"<div><div>In the title compound, the pendant phenyl ring is twisted by 43.85 (1)° with respect to the acridine moiety. The extended structure features aromatic π–π stacking with a centroid-to-centroid distance of 3.489 (2) Å and weak C—H⋯O hydrogen bonds.</div></div><div><div>In the title compound, C<sub>22</sub>H<sub>18</sub>N<sub>2</sub>O, the pendant phenyl ring is twisted by 43.85 (1)° with respect to the acridine moiety, which has almost coplanar atoms apart from the <em>sp</em><sup>3</sup> carbon atoms. The extended structure features aromatic π–π stacking with a centroid-to-centroid distance of 3.489 (2) Å and weak C—H⋯O hydrogen bonds.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (234KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144065517","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}