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}
IUCrDataPub Date : 2025-04-01DOI: 10.1107/S2414314625002779
Segun D. Oladipo , Sizwe J. Zamisa , Robert C. Luckay
{"title":"(E)-N-[4-(Diethylamino)-2-hydroxybenzylidene]-2,4,6-trimethylbenzenaminium nitrate","authors":"Segun D. Oladipo , Sizwe J. Zamisa , Robert C. Luckay","doi":"10.1107/S2414314625002779","DOIUrl":"10.1107/S2414314625002779","url":null,"abstract":"<div><div>The crystal structure of a protonated Schiff base, isolated as its nitrate salt, exhibits a supramolecular chain-like architecture that propagates along the crystallographic <em>b</em>-axis direction and features intermolecular O—H⋯O and C—H⋯O hydrogen-bonding.</div></div><div><div>The crystal structure of the title salt, C<sub>20</sub>H<sub>27</sub>N<sub>2</sub>O<sup>+</sup>·NO<sub>3</sub><sup>−</sup>, has a cationic (<em>E</em>)-mesityl-<em>N</em>-[4-(diethylamino)benzylidene]benzenaminium species and a nitrate counter-ion in the asymmetric-unit. In the crystal, alternating intermolecular O—H⋯O and C—H⋯O hydrogen-bonding occurs between neighbouring protonated Schiff bases and nitrate ions within a supramolecular, chain-like architecture that extends along the crystallographic <em>b</em>-axis direction.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (211KB)</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":"144060079","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}
{"title":"2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N′-(4-nitrobenzylidene)acetohydrazide monohydrate","authors":"Murugan Nidhishree , Sundaramoorthy Gomathi , Jeyaraman Selvaraj Nirmalram , Logesh Mathivathanan","doi":"10.1107/S2414314625003645","DOIUrl":"10.1107/S2414314625003645","url":null,"abstract":"<div><div>In the title hydrate, the dihedral angle between the aromatic rings is 9.6 (3)°. In the crystal, N—H⋯O and O—H⋯N hydrogen bonds link the components into (101) sheets.</div></div><div><div>In the title hydrate, C<sub>12</sub>H<sub>11</sub>N<sub>5</sub>O<sub>3</sub>S<sub>2</sub>·H<sub>2</sub>O, the dihedral angle between the aromatic rings is 9.6 (3)°. In the crystal, N—H⋯O and O—H⋯N hydrogen bonds link the components into (101) sheets.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (184KB)</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":"144056739","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/S2414314625003256
Yangkun Dai , Yibo Liu , Marek Mihalkovic , Bin Wen , Lifeng Zhang , Changzeng Fan
{"title":"CaCu1.424Fe0.576Si2","authors":"Yangkun Dai , Yibo Liu , Marek Mihalkovic , Bin Wen , Lifeng Zhang , Changzeng Fan","doi":"10.1107/S2414314625003256","DOIUrl":"10.1107/S2414314625003256","url":null,"abstract":"<div><div>A CaCu<sub>1.424</sub>Fe<sub>0.576</sub>Si<sub>2</sub> phase was obtained during high-pressure sintering of an Si-rich quasicrystal composition prealloy with the nominal chemical composition Si<sub>61</sub>Cu<sub>30</sub>Ca<sub>7</sub>Fe<sub>2</sub>. The obtained phase crystallizes in the space group <em>I</em>4/<em>mmm</em> (No. 139), with <em>a</em> = <em>b</em> = 4.041 Å and <em>c</em> = 10.010 Å.</div></div><div><div>A CaCu<sub>1.424</sub>Fe<sub>0.576</sub>Si<sub>2</sub> phase was obtained during high-pressure sintering of an Si-rich quasicrystal composition prealloy with the nominal chemical composition Si<sub>61</sub>Cu<sub>30</sub>Ca<sub>7</sub>Fe<sub>2</sub>. The obtained phase crystallizes in the space group <em>I</em>4/<em>mmm</em> (No. 139), with <em>a</em> = <em>b</em> = 4.041 Å and <em>c</em> = 10.010 Å. It is isotypic with CaCu<sub>2</sub>Si<sub>2</sub> (<em>a</em> = <em>b</em> = 4.06 Å and <em>c</em> = 9.91 Å) [Palenzona <em>et al.</em> (1986<span><span>#</span></span>). <em>J. Less-Common Met.</em><strong>119</strong>, 199–209] and CaFe<sub>2</sub>Si<sub>2</sub> (<em>a</em> = <em>b</em> = 3.94 Å and <em>c</em> = 10.19 Å) [Hlukhyy <em>et al.</em> (2012<span><span>#</span></span>). <em>Z. Anorg. Allg. Chem.</em><strong>638</strong>, 1619–1619]. It features a co-occupancy of Cu and Fe atoms with a ratio of the refined site-occupancy factors of 0.71 (15):0.29 (15).<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (93KB)</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":"144056474","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}