In the bis-chelated mononuclear nickel(II) title complex with benzohydrazide ligands bearing an allyloxy group, the nickel(II) atom exhibits a slightly distorted square-planar coordination environment with the metal located on a crystallographic center of symmetry that induces a trans configuration of the N,O chelating ligands..
In the mononuclear title complex, [Ni(C14H17N2O2)2], the nickel(II) atom exhibits a slightly distorted square-planar coordination environment with the metal located on a crystallographic center of symmetry that induces a trans configuration of the N,O chelating ligands. In the crystal, weak C—H⋯O and C—H⋯π interactions consolidate the packing.
{"title":"Bis[N′-(2-methylpropylidene)-4-(prop-2-en-1-yloxy)benzohydrazidato-κ2N′,O]nickel(II)","authors":"Sultana Shakila Khan , Md. Belayet Hossain Howlader , Md. Chanmiya Sheikh , Ryuta Miyatake , Ennio Zangrando","doi":"10.1107/S2414314625009885","DOIUrl":"10.1107/S2414314625009885","url":null,"abstract":"<div><div>In the bis-chelated mononuclear nickel(II) title complex with benzohydrazide ligands bearing an allyloxy group, the nickel(II) atom exhibits a slightly distorted square-planar coordination environment with the metal located on a crystallographic center of symmetry that induces a <em>trans</em> configuration of the <em>N</em>,<em>O</em> chelating ligands..</div></div><div><div>In the mononuclear title complex, [Ni(C<sub>14</sub>H<sub>17</sub>N<sub>2</sub>O<sub>2</sub>)<sub>2</sub>], the nickel(II) atom exhibits a slightly distorted square-planar coordination environment with the metal located on a crystallographic center of symmetry that induces a <em>trans</em> configuration of the <em>N</em>,<em>O</em> chelating ligands. In the crystal, weak C—H⋯O and C—H⋯π interactions consolidate the packing.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (226KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145753776","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 : 2025-11-01DOI: 10.1107/S2414314625010399
Xinyu Liang , Changzeng Fan , Bin Wen , Lifeng Zhang
The title quaternary intermetallic material is a new γ-brass obtained using a high-pressure sintering process.
A mixture with the initial chemical composition Al59Cr21Fe10Si10 was subjected to high-pressure sintering, resulting in the unexpected synthesis of an intermetallic compound with the composition Al48.18Cr22.78Fe4.04Si3, which adopts the Cr0.88Fe0.12Ga structure type in the space group R3m. Structural analysis indicates that Al, Cr and Fe jointly occupy a special position (Wyckoff site 18h), with refined site occupancy factors of 0.676 (6), 0.17 (2) and 0.16 (2), respectively. Cr and Fe share another special position (Wyckoff site 3b), with refined site occupancy factors of 0.60 (6) and 0.40 (6), respectively. Other atoms in the crystal (Al and Si) fully occupy their sites.
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标题四元金属间材料是采用高压烧结工艺制备的新型γ-黄铜。将初始化学成分为Al59Cr21Fe10Si10的混合物进行高压烧结，意外合成了成分为Al48.18Cr22.78Fe4.04Si3的金属间化合物，该化合物在R3m空间群中采用Cr0.88Fe0.12Ga结构类型。结构分析表明，Al、Cr和Fe共同占据一个特殊位置（Wyckoff site 18h），其精细化占据因子分别为0.676(6)、0.17(2)和0.16(2)。Cr和Fe共享另一个特殊位置（Wyckoff site 3b），其精炼场地占用系数分别为0.60(6)和0.40(6)。晶体中的其他原子（Al和Si）完全占据了它们的位置。下载：下载高清图片（139KB）下载：下载全尺寸图片
{"title":"Al48.18Cr22.78Fe4.04Si3","authors":"Xinyu Liang , Changzeng Fan , Bin Wen , Lifeng Zhang","doi":"10.1107/S2414314625010399","DOIUrl":"10.1107/S2414314625010399","url":null,"abstract":"<div><div>The title quaternary intermetallic material is a new γ-brass obtained using a high-pressure sintering process.</div></div><div><div>A mixture with the initial chemical composition Al<sub>59</sub>Cr<sub>21</sub>Fe<sub>10</sub>Si<sub>10</sub> was subjected to high-pressure sintering, resulting in the unexpected synthesis of an intermetallic compound with the composition Al<sub>48.18</sub>Cr<sub>22.78</sub>Fe<sub>4.04</sub>Si<sub>3</sub>, which adopts the Cr<sub>0.88</sub>Fe<sub>0.12</sub>Ga structure type in the space group <em>R</em>3<em>m</em>. Structural analysis indicates that Al, Cr and Fe jointly occupy a special position (Wyckoff site 18<em>h</em>), with refined site occupancy factors of 0.676 (6), 0.17 (2) and 0.16 (2), respectively. Cr and Fe share another special position (Wyckoff site 3<em>b</em>), with refined site occupancy factors of 0.60 (6) and 0.40 (6), respectively. Other atoms in the crystal (Al and Si) fully occupy their sites.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (139KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145753691","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 : 2025-11-01DOI: 10.1107/S2414314625010478
Erin Van Rooyen , Eric Cyriel Hosten , Richard Betz
The title compound is the hydrochloride salt of the ethyl ester of l-valine. Intermolecular interactions connect the entities of the asymmetric unit into sheets lying parallel the the bc plane.
The title compound [systematic name: (2S)-1-ethoxy-3-methyl-1-oxobutan-2-aminium chloride], C7H16NO2+·Cl−, is the hydrochloride salt of the ethyl ester of l-valine. In the crystal, classical hydrogen bonds of the N—H⋯Cl type are observed alongside C—H⋯O and C—H⋯Cl contacts, connecting the entities of the asymmetric unit into sheets lying perpendicular to the crystallographic a axis.
{"title":"l-Valine ethyl ester hydrochloride","authors":"Erin Van Rooyen , Eric Cyriel Hosten , Richard Betz","doi":"10.1107/S2414314625010478","DOIUrl":"10.1107/S2414314625010478","url":null,"abstract":"<div><div>The title compound is the hydrochloride salt of the ethyl ester of <span>l</span>-valine. Intermolecular interactions connect the entities of the asymmetric unit into sheets lying parallel the the <em>bc</em> plane.</div></div><div><div>The title compound [systematic name: (2<em>S</em>)-1-ethoxy-3-methyl-1-oxobutan-2-aminium chloride], C<sub>7</sub>H<sub>16</sub>NO<sub>2</sub><sup>+</sup>·Cl<sup>−</sup>, is the hydrochloride salt of the ethyl ester of <span>l</span>-valine. In the crystal, classical hydrogen bonds of the N—H⋯Cl type are observed alongside C—H⋯O and C—H⋯Cl contacts, connecting the entities of the asymmetric unit into sheets lying perpendicular to the crystallographic <em>a</em> axis.<blockquote><div><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></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145753772","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 : 2025-11-01DOI: 10.1107/S2414314625009472
Mari Grobbelaar , Eric Cyriel Hosten , Richard Betz
The title compound is a hydrated, partially protected derivative of d-glucopyranose. Intermolecular interactions connect the entities of the asymmetric unit to a three-dimensional network.
The title compound, C14H18O6·H2O, is a partially protected derivative of d-glucopyranose. The asymmetric unit contains one sugar molecule and one water molecule of crystallization. Classical hydrogen bonds of the O—H⋯O type form a cooperative set and are observed next to a C—H⋯O(water) contact, connecting the entities of the asymmetric unit into a three-dimensional network.
{"title":"Methyl 4,6-O-benzylidene-α-d-glucopyranoside monohydrate","authors":"Mari Grobbelaar , Eric Cyriel Hosten , Richard Betz","doi":"10.1107/S2414314625009472","DOIUrl":"10.1107/S2414314625009472","url":null,"abstract":"<div><div>The title compound is a hydrated, partially protected derivative of <span>d</span>-glucopyranose. Intermolecular interactions connect the entities of the asymmetric unit to a three-dimensional network.</div></div><div><div>The title compound, C<sub>14</sub>H<sub>18</sub>O<sub>6</sub>·H<sub>2</sub>O, is a partially protected derivative of <span>d</span>-glucopyranose. The asymmetric unit contains one sugar molecule and one water molecule of crystallization. Classical hydrogen bonds of the O—H⋯O type form a cooperative set and are observed next to a C—H⋯O(water) contact, connecting the entities of the asymmetric unit into a three-dimensional network.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (250KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145753780","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 : 2025-11-01DOI: 10.1107/S2414314625009393
Galal H. Elgemeie , Nadia H. Metwally , El-shimaa S. M. Abd Al-latif , Peter G. Jones
In the title compound, much of the molecule (excluding the pyridinic ring) is approximately planar. In the extended structure, various hydrogen bonds combine to form a layer structure parallel to (111).
In the title compound, C27H23ClN6O3·C3H7NO, much of the molecule is approximately planar, excluding the pyridinic ring, which is almost perpendicular to this plane, and the sp3 atoms of the modified xanthene system. The diazene group is E-configured. In the extended structure, two hydrogen bonds of the type N—H⋯O and one N—H⋯Cl combine to form a layer structure parallel to (111). The solvent is severely disordered and this necessitated the use of SQUEEZE for a reliable refinement.
{"title":"(E)-2,4-Diamino-5-{7-[(4-chlorophenyl)diazenyl]-3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl}-6-oxo-1,6-dihydropyridine-3-carbonitrile dimethylformamide monosolvate","authors":"Galal H. Elgemeie , Nadia H. Metwally , El-shimaa S. M. Abd Al-latif , Peter G. Jones","doi":"10.1107/S2414314625009393","DOIUrl":"10.1107/S2414314625009393","url":null,"abstract":"<div><div>In the title compound, much of the molecule (excluding the pyridinic ring) is approximately planar. In the extended structure, various hydrogen bonds combine to form a layer structure parallel to (111).</div></div><div><div>In the title compound, C<sub>27</sub>H<sub>23</sub>ClN<sub>6</sub>O<sub>3</sub>·C<sub>3</sub>H<sub>7</sub>NO, much of the molecule is approximately planar, excluding the pyridinic ring, which is almost perpendicular to this plane, and the <em>sp</em><sup>3</sup> atoms of the modified xanthene system. The diazene group is <em>E</em>-configured. In the extended structure, two hydrogen bonds of the type N—H⋯O and one N—H⋯Cl combine to form a layer structure parallel to (111). The solvent is severely disordered and this necessitated the use of SQUEEZE for a reliable refinement.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (245KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145753690","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 : 2025-11-01DOI: 10.1107/S2414314625009794
Lubabalo Ndima , Eric Cyriel Hosten , Richard Betz
The title compound is a derivative of cyclohexanecarboxylic acid bearing a hydroxyl group in its α-position and is a polymorph of the previously reported monoclinic form.
The asymmetric unit of the title compound, C7H12O3, an α-hydroxycarboxylic acid, contains two complete molecules. In the extended structure, O—H⋯O hydrogen bonds connect the molecules into sheets lying perpendicular to the crystallographic b axis.
{"title":"Triclinic polymorph of 1-hydroxycyclohexanecarboxylic acid","authors":"Lubabalo Ndima , Eric Cyriel Hosten , Richard Betz","doi":"10.1107/S2414314625009794","DOIUrl":"10.1107/S2414314625009794","url":null,"abstract":"<div><div>The title compound is a derivative of cyclohexanecarboxylic acid bearing a hydroxyl group in its α-position and is a polymorph of the previously reported monoclinic form.</div></div><div><div>The asymmetric unit of the title compound, C<sub>7</sub>H<sub>12</sub>O<sub>3</sub>, an α-hydroxycarboxylic acid, contains two complete molecules. In the extended structure, O—H⋯O hydrogen bonds connect the molecules into sheets lying perpendicular to the crystallographic <em>b</em> axis.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (191KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145753781","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 : 2025-11-01DOI: 10.1107/S2414314625009873
Pierre Koch , Dieter Schollmeyer , Stefan Laufer
The title compound, C14H9FN2O, crystallizes in the monoclinic space group P21/c. The dihedral angles between the central isoxazole ring and the 4-fluorophenyl and pyridine rings are 32.64 (5) and 32.70 (7)°, respectively.
The title compound, C14H9FN2O, crystallizes in the monoclinic space group P21/c. The dihedral angles between the central isoxazole ring and the 4-fluorophenyl and pyridine rings are 32.64 (5) and 32.70 (7)°, respectively.
{"title":"4-[5-(4-Fluorophenyl)-1,2-oxazol-4-yl]pyridine","authors":"Pierre Koch , Dieter Schollmeyer , Stefan Laufer","doi":"10.1107/S2414314625009873","DOIUrl":"10.1107/S2414314625009873","url":null,"abstract":"<div><div>The title compound, C<sub>14</sub>H<sub>9</sub>FN<sub>2</sub>O, crystallizes in the monoclinic space group <em>P</em>2<sub>1</sub>/<em>c</em>. The dihedral angles between the central isoxazole ring and the 4-fluorophenyl and pyridine rings are 32.64 (5) and 32.70 (7)°, respectively.</div></div><div><div>The title compound, C<sub>14</sub>H<sub>9</sub>FN<sub>2</sub>O, crystallizes in the monoclinic space group <em>P</em>2<sub>1</sub>/<em>c</em>. The dihedral angles between the central isoxazole ring and the 4-fluorophenyl and pyridine rings are 32.64 (5) and 32.70 (7)°, respectively.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (246KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145753782","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 : 2025-11-01DOI: 10.1107/S2414314625009915
Kina Muller , Eric Cyriel Hosten , Richard Betz
The title compound, C21H38N+·Br−·H2O, is the bromide salt of a quarternary pyridinium cation bearing a hexadecyl chain on the nitrogen atom. One molecule of solvent water is present in the asymmetric unit. Classical hydrogen bonds of the O—H⋯Br type are observed next to C—H⋯Br and C—H⋯O contacts that connect the entities of the title compound to sheets parallel to the ab plane.
The title compound, C21H38N+·Br−·H2O, is the bromide salt of a quarternary pyridinium cation bearing a hexadecyl chain on the nitrogen atom. One molecule of solvent water is present in the asymmetric unit. Classical hydrogen bonds of the O—H⋯Br type are observed next to C—H⋯Br and C—H⋯O contacts that connect the entities of the title compound to sheets parallel to the ab plane.
{"title":"Cetylpyridinium bromide monohydrate: localization of H atoms","authors":"Kina Muller , Eric Cyriel Hosten , Richard Betz","doi":"10.1107/S2414314625009915","DOIUrl":"10.1107/S2414314625009915","url":null,"abstract":"<div><div>The title compound, C<sub>21</sub>H<sub>38</sub>N<sup>+</sup>·Br<sup>−</sup>·H<sub>2</sub>O, is the bromide salt of a quarternary pyridinium cation bearing a hexadecyl chain on the nitrogen atom. One molecule of solvent water is present in the asymmetric unit. Classical hydrogen bonds of the O—H⋯Br type are observed next to C—H⋯Br and C—H⋯O contacts that connect the entities of the title compound to sheets parallel to the <em>ab</em> plane.</div></div><div><div>The title compound, C<sub>21</sub>H<sub>38</sub>N<sup>+</sup>·Br<sup>−</sup>·H<sub>2</sub>O, is the bromide salt of a quarternary pyridinium cation bearing a hexadecyl chain on the nitrogen atom. One molecule of solvent water is present in the asymmetric unit. Classical hydrogen bonds of the O—H⋯Br type are observed next to C—H⋯Br and C—H⋯O contacts that connect the entities of the title compound to sheets parallel to the <em>ab</em> plane.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (155KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145753783","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 : 2025-11-01DOI: 10.1107/S2414314625010387
Mei Chen , Changzeng Fan , Bin Wen , Lifeng Zhang
The crystal structure of (Al13.28Si2.72)(Fe1.19Ni2.81) comprises eight sites in the asymmetric unit, one of which is co-occupied by pairs of (Al,Si) atoms, and two by pairs of (Fe,Ni) atoms.
The intermetallic phase (Al13.28Si2.72)(Fe1.19Ni2.81) was obtained by high-pressure sintering (HPS) of a mixture with an elemental atomic ratio corresponding to (Al,Si)5(Fe,Ni). The space group was determined to be C2/m with Z = 2. The structure model contains three co-occupied sites with occupancy ratios of Si:Al = 0.679:0.321, Ni:Fe = 0.46:0.54 and Ni:Fe = 0.94:0.06, and five sites with full occupancy of Al atoms.
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（Al13.28Si2.72）（Fe1.19Ni2.81）的晶体结构包括不对称单元中的8个位点，其中一个位点由（Al,Si）原子对共占据，另外两个位点由（Fe,Ni）原子对共占据。采用元素原子比为（Al,Si）5（Fe,Ni）的混合物高压烧结（HPS）得到金属间相（Al13.28Si2.72）（Fe1.19Ni2.81）。空间群确定为C2/m， Z = 2。该结构模型包含3个共占据位点，其占比分别为Si:Al = 0.679:0.321、Ni:Fe = 0.46:0.54和Ni:Fe = 0.94:0.06，另外5个位点全部占据Al原子。下载：下载高分辨率图片（156KB）下载：下载全尺寸图片
{"title":"(Al13.28Si2.72)(Fe1.19Ni2.81)","authors":"Mei Chen , Changzeng Fan , Bin Wen , Lifeng Zhang","doi":"10.1107/S2414314625010387","DOIUrl":"10.1107/S2414314625010387","url":null,"abstract":"<div><div>The crystal structure of (Al<sub>13.28</sub>Si<sub>2.72</sub>)(Fe<sub>1.19</sub>Ni<sub>2.81</sub>) comprises eight sites in the asymmetric unit, one of which is co-occupied by pairs of (Al,Si) atoms, and two by pairs of (Fe,Ni) atoms.</div></div><div><div>The intermetallic phase (Al<sub>13.28</sub>Si<sub>2.72</sub>)(Fe<sub>1.19</sub>Ni<sub>2.81</sub>) was obtained by high-pressure sintering (HPS) of a mixture with an elemental atomic ratio corresponding to (Al,Si)<sub>5</sub>(Fe,Ni). The space group was determined to be <em>C</em>2/<em>m</em> with <em>Z</em> = 2. The structure model contains three co-occupied sites with occupancy ratios of Si:Al = 0.679:0.321, Ni:Fe = 0.46:0.54 and Ni:Fe = 0.94:0.06, and five sites with full occupancy of Al atoms.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (156KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145753784","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 : 2025-11-01DOI: 10.1107/S2414314625010466
Eric Cyriel Hosten , Richard Betz
The title compound is the acetal of 4-chlorobenzaldehyde and 1,3-propanediol. In the crystal, weak C—H⋯O contacts connect the molecules to centrosymmetric dimers.
The title compound, C10H11ClO2, is an acetal-protected derivative of 4-chlorobenzaldehyde. The aliphatic ring adopts a chair conformation. In the crystal, weak C—H⋯O contacts connect the molecules into centrosymmetric dimers.
{"title":"2-(4-Chlorophenyl)-1,3-dioxane – localization of hydrogen atoms","authors":"Eric Cyriel Hosten , Richard Betz","doi":"10.1107/S2414314625010466","DOIUrl":"10.1107/S2414314625010466","url":null,"abstract":"<div><div>The title compound is the acetal of 4-chlorobenzaldehyde and 1,3-propanediol. In the crystal, weak C—H⋯O contacts connect the molecules to centrosymmetric dimers.</div></div><div><div>The title compound, C<sub>10</sub>H<sub>11</sub>ClO<sub>2</sub>, is an acetal-protected derivative of 4-chlorobenzaldehyde. The aliphatic ring adopts a chair conformation. In the crystal, weak C—H⋯O contacts connect the molecules into centrosymmetric dimers.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (166KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145753778","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}
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