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1-Ethyl-3,3-dimethylspiro[indoline-2,8′-phenaleno[1,9-fg]chromene] 1-乙基-3,3-二甲基螺[吲哚啉-2,8′-苯并[1,9-fg]色烯]
Pub Date : 2024-02-13 DOI: 10.1107/s2414314624001378
Xiaoming Zhu., Zhen Jiang, Zhiqiang Liu
The title pyrene-fused spiropyran derivative, C30H25NO, crystallizes with two molecules in the asymmetric unit with dihedral angles between their fused-ring sub units of 76.20 (8) and 89.38 (9)°. In the crystal, weak C—H...π interactions link the molecules into a three-dimensional network.
标题为 C30H25NO 的芘融合螺吡喃衍生物在不对称单元中结晶出两个分子,其融合环子单元之间的二面角分别为 76.20 (8) 和 89.38 (9)°。在晶体中,微弱的 C-H...π 相互作用将分子连接成一个三维网络。
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引用次数: 0
(2,2′-Bi­pyridine-κ2 N,N′)(4,4′-dimeth­oxy-2,2′-bipyridine-κ2 N,N′)palladium(II) bis­(tri­fluoro­meth­anesulfonate) (2,2'-Bi-pyridine-κ2N,N')(4,4'-dimeth-oxy-2,2'-bipyridine-κ2N,N')palladium(II) bis-(tri-fluoro-meth-anesulfonate).
Pub Date : 2024-02-01 DOI: 10.1107/S2414314624001093
Brittney B. Vargas , Hadi D. Arman , Rafael A. Adrian , M. Weil (Editor)

In the cation of the title complex, the central palladium(II) atom is surrounded by two bidentate ligands, 2,2′-bi­pyridine and 4,4′-dimeth­oxy-2,2′-bi­pyridine, in a distorted square-planar environment.

In the title complex salt, [Pd(C10H8N2)(C12H12N2O2)](CF3SO3)2, the palladium(II) atom is fourfold coordinated by two chelating ligands, 2,2′-bi­pyridine and 4,4′-dimeth­oxy-2,2′-bi­pyridine, in a distorted square-planar environment. In the crystal, weak π–π stacking inter­actions between the 2,2′-bi­pyridine rings [centroid-to-centroid distances = 3.8984 (19) Å] and between the 4,4′-dimeth­oxy-2,2′-bi­pyridine rings [centroid-to-centroid distances = 3.747 (18) Å] contribute to the alignment of the complex cations in columns parallel to the b-axis direction.

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在标题复盐[Pd(C10H8N2)(C12H12N2O2)](CF3SO3)2 中,钯(II)原子在畸变的方平面环境中与两个螯合配体(2,2'-双吡啶和 4,4'-dimeth-oxy-2,2'- 双吡啶)配位。在晶体中,2,2'-双吡啶环之间微弱的π-π堆叠相互作用[中心到中心的距离 = 3.8984 (19) Å]和 4,4'-dimeth-oxy-2,2'-bipyridine 环之间微弱的π-π堆叠相互作用[中心到中心的距离 = 3.747 (18) Å]促使复合物阳离子以平行于 b 轴方向的柱状排列。
{"title":"(2,2′-Bi­pyridine-κ2 N,N′)(4,4′-dimeth­oxy-2,2′-bipyridine-κ2 N,N′)palladium(II) bis­(tri­fluoro­meth­anesulfonate)","authors":"Brittney B. Vargas ,&nbsp;Hadi D. Arman ,&nbsp;Rafael A. Adrian ,&nbsp;M. Weil (Editor)","doi":"10.1107/S2414314624001093","DOIUrl":"10.1107/S2414314624001093","url":null,"abstract":"<div><p>In the cation of the title complex, the central palladium(II) atom is surrounded by two bidentate ligands, 2,2′-bi­pyridine and 4,4′-dimeth­oxy-2,2′-bi­pyridine, in a distorted square-planar environment.</p></div><div><p>In the title complex salt, [Pd(C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>)(C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>O<sub>2</sub>)](CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub>, the palladium(II) atom is fourfold coordinated by two chelating ligands, 2,2′-bi­pyridine and 4,4′-dimeth­oxy-2,2′-bi­pyridine, in a distorted square-planar environment. In the crystal, weak π–π stacking inter­actions between the 2,2′-bi­pyridine rings [centroid-to-centroid distances = 3.8984 (19) Å] and between the 4,4′-dimeth­oxy-2,2′-bi­pyridine rings [centroid-to-centroid distances = 3.747 (18) Å] contribute to the alignment of the complex cations in columns parallel to the <em>b</em>-axis direction. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (316KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10915546/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140061685","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
1-Ethyl-3,3-di­methyl­spiro­[indoline-2,8′-phenaleno[1,9-fg]chromene] 1-乙基-3,3-二甲基螺[吲哚啉-2,8′-苯并[1,9-fg]色烯]
Pub Date : 2024-02-01 DOI: 10.1107/S2414314624001378
Xiaoming Zhu. , Zhen Jiang , Zhiqiang Liu , W. T. A. Harrison (Editor)

Both mol­ecules in the asymmetric unit of the title compound are twisted. In the crystal, weak C—H⋯π inter­actions link the mol­ecules into a three-dimensional network.

The title pyrene-fused spiro­pyran derivative, C30H25NO, crystallizes with two mol­ecules in the asymmetric unit with dihedral angles between their fused-ring sub units of 76.20 (8) and 89.38 (9)°. In the crystal, weak C—H⋯π inter­actions link the mol­ecules into a three-dimensional network.

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标题为 C30H25NO 的芘融合螺吡喃衍生物在不对称单元中结晶出两个分子,其融合环子单元之间的二面角分别为 76.20 (8) 和 89.38 (9)°。在晶体中,微弱的 C-H...π 相互作用将分子连接成一个三维网络。
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引用次数: 0
Prop-2-ynyl 3-meth­oxy-4-(prop-2-yn­yloxy)benzoate 3-甲氧基-4-(丙-2-炔氧基)苯甲酸丙-2-炔酯。
Pub Date : 2024-02-01 DOI: 10.1107/S2414314624001639
Cresten Moodley , Alfred Muller , Yonas H. Belay , W. T. A. Harrison (Editor)

The title compound, C14H12O4, was prepared via alkyl­ation of 4-hy­droxy-3-meth­oxy­benzoic acid with propargyl bromide in the presence of K2CO3.

The title compound, C14H12O4, comprises of two crystallographically independent mol­ecules in the asymmetric unit, linked via C—H⋯O inter­actions to form dimeric entities. The allylic groups are twisted out of the phenyl planes with dihedral angles varying between 7.92 (13) and 25.42 (8)°. In the crystal, the packing follows a zigzag pattern along the c-axis direction. The absolute configuration of the sample could not be determined reliably.

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标题化合物 C14H12O4 由不对称单元中两个晶体学上独立的分子胚珠组成,通过 C-H⋯O 相互作用连接形成二聚实体。烯丙基从苯基平面扭曲出来,二面角介于 7.92 (13) 和 25.42 (8)° 之间。在晶体中,填料沿 c 轴方向呈 "之 "字形排列。样品的绝对构型无法可靠确定。
{"title":"Prop-2-ynyl 3-meth­oxy-4-(prop-2-yn­yloxy)benzoate","authors":"Cresten Moodley ,&nbsp;Alfred Muller ,&nbsp;Yonas H. Belay ,&nbsp;W. T. A. Harrison (Editor)","doi":"10.1107/S2414314624001639","DOIUrl":"10.1107/S2414314624001639","url":null,"abstract":"<div><p>The title compound, C<sub>14</sub>H<sub>12</sub>O<sub>4</sub>, was prepared <em>via</em> alkyl­ation of 4-hy­droxy-3-meth­oxy­benzoic acid with propargyl bromide in the presence of K<sub>2</sub>CO<sub>3</sub>.</p></div><div><p>The title compound, C<sub>14</sub>H<sub>12</sub>O<sub>4</sub>, comprises of two crystallographically independent mol­ecules in the asymmetric unit, linked <em>via</em> C—H⋯O inter­actions to form dimeric entities. The allylic groups are twisted out of the phenyl planes with dihedral angles varying between 7.92 (13) and 25.42 (8)°. In the crystal, the packing follows a zigzag pattern along the <em>c</em>-axis direction. The absolute configuration of the sample could not be determined reliably. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (166KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10915548/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140061687","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
Aqua­bis­(2,2′-bi­pyridine-κ2 N,N′)(isonicotinamide-κN)ruthenium(II) bis­(trifluoromethanesulfonate) Aqua-bis-(2,2'-bi-pyridine-κ2N,N')(isonicotinamide-κN)ruthenium(II) bis-(trifluoromethanesulfonate).
Pub Date : 2024-02-01 DOI: 10.1107/S2414314624001147
Liam Faubert , Hadi D. Arman , Rafael A. Adrian , M. Bolte (Editor)

In the crystal structure of the title compound, the ruthenium(II) metal center is surrounded by two bidentate 2,2′-bi­pyridine, an isonicotinamide ligand, and a water in a distorted octa­hedral geometry. Hydrogen bonding is present between counter-ion and ligand.

In the title complex, [Ru(C10H8N2)2(C6H6N2O)(H2O)](CF3SO3)2, the central RuII atom is sixfold coordinated by two bidentate 2,2′-bi­pyridine, an isonic­otinamide ligand, and a water mol­ecule in a distorted octa­hedral environment with tri­fluoro­methane­sulfonate ions completing the outer coordination sphere of the complex. Hydrogen bonding involving the water mol­ecule and weak π–π stacking inter­actions between the pyridyl rings in adjacent mol­ecules contribute to the alignment of the complexes in columns parallel to the c axis.

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在标题复合物[Ru(C10H8N2)2(C6H6N2O)(H2O)](CF3SO3)2 中,中心 RuII 原子由两个双齿 2,2'-双吡啶、一个等效烟酰胺配体和一个水分子单元在畸变的八面体环境中配位成六面体,三氟甲烷磺酸离子完成了复合物的外配位层。水分子单元中的氢键和相邻分子单元中吡啶环之间微弱的π-π堆叠相互作用使复合物排列成平行于 c 轴的柱状。
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引用次数: 0
Bis[μ-bis­(pyridin-2-yl)methanone oxime-κ3 N:,N′,N′′]bis­[di­acetato-κ2 O,O′;κO-zinc(II)] 双[μ-双(吡啶-2-基)甲酮肟-κ3 N:,N′,N′′]双[双乙酰氧基-κ2 O,O′;κO-锌(II)]
Pub Date : 2024-02-01 DOI: 10.1107/S2414314624001226
Guy Crundwell , Nigel E. Crundwell , Barry L. Westcott , M. Zeller (Editor)

The structure of the title compound is triclinic containing half of the mol­ecule in the asymmetric unit. Each zinc atom is coordinated to a pyridyl and oxime nitro­gen from one ligand and a third nitro­gen from the other dpko pyridyl ring and two acetato anions.

The structure of the title complex, [Zn2(C2H3O2)4(C11H9N3O)2], is triclinic containing half of the mol­ecule in the asymmetric unit. Each zinc atom is coordinated to a pyridyl and oxime nitro­gen from one di-2-pyridyl ketone oxime (dpko) ligand and a third nitro­gen from the other dpko pyridyl ring. Additionally, each zinc is coordinated to two acetato anions, one of which is bidentate and the other monodentate. The uncoordinated oxygen of the monodentate acetato group is involved in a hydrogen bond with the oxime hydrogen. The packing in the crystal is assisted by weak C—H⋯O inter­actions between acetato groups and neighboring pyridyl rings.

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标题复合物[Zn2(C2H3O2)4(C11H9N3O)2]的结构为三菱形,其中一半分子为不对称单元。每个锌原子都与一个二-2-吡啶基酮肟(dpko)配体的一个吡啶氮和一个肟氮配位,并与另一个 dpko 吡啶环的第三个氮配位。此外,每个锌都与两个乙酸阴离子配位,其中一个为双配位,另一个为单配位。单齿乙酰基的非配位氧与肟氢形成氢键。乙酸根基与邻近吡啶环之间微弱的 C-H...O 相互作用有助于晶体的堆积。
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引用次数: 0
rac-Hy­droxy­isovaleric acid rac-羟基异戊酸
Pub Date : 2024-01-01 DOI: 10.1107/S2414314623010933
Lukhanyo Dasi , Eric Cyriel Hosten , Richard Betz , M. Bolte (Editor)

The title compound is the constitutional isomer of α-hy­droxy­butanoic acid. In the crystal, hydrogen bonds involving the alcoholic hydroxyl group give rise to centrosymmetric dimers that are extended to sheets perpendicular to the crystallographic c axis.

The title compound (systematic name: rac-2-hydroxy-3-methylbutanoic acid), C5H10O3, is the constitutional isomer of α-hy­droxy­butanoic acid. In the crystal, hydrogen bonds involving the alcoholic hydroxyl group give rise to centrosymmetric dimers that are extended to sheets perpendicular to the crystallographic c axis.

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标题化合物(系统名称:rac-2-羟基-3-甲基丁酸)C5H10O3 是 α-羟基丁酸的构型异构体。在晶体中,涉及醇羟基的氢键会产生中心对称的二聚体,并扩展成垂直于晶体学 c 轴的薄片。
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引用次数: 0
Crystal structure of Ti4Ni2C Ti4Ni2C 的晶体结构
Pub Date : 2024-01-01 DOI: 10.1107/S2414314624000439
Huizi Liu , Xinyu Liang , Yibo Liu , Changzeng Fan , Bin Wen , Lifeng Zhang , M. Weil (Editor)

Ti4Ni2C crystallizes isotypically with Ti4Ni2O, Nb4Ni2C and Ta4Ni2C and can be considered as a partially filled Ti2Ni structure with the C atom occupying an octa­hedral void.

Single crystals of the inter­metallic phase with composition Ti4Ni2C were serendipitously obtained by high-pressure sinter­ing of a mixture with initial chemical composition Ti2Ni. The Ti4Ni2C phase crystallizes in the Fd

m space group and can be considered as a partially filled Ti2Ni structure with the C atom occupying an octa­hedral void. Ti4Ni2C is isotypic with Ti4Ni2O, Nb4Ni2C and Ta4Ni2C, all of which were studied previously by means of powder diffraction.
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通过对初始化学成分为 Ti2Ni 的混合物进行高压烧结,偶然获得了成分为 Ti4Ni2C 的金属间相单晶。Ti4Ni2C 相在 Fdoverline{3}m 空间群中结晶,可视为部分填充的 Ti2Ni 结构,其中 C 原子占据一个八面体空隙。Ti4Ni2C 与 Ti4Ni2O、Nb4Ni2C 和 Ta4Ni2C 同型,所有这些物质以前都通过粉末衍射法进行过研究。
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引用次数: 0
2-Amino­benzoxazole–oxalic acid (2/1) 2-氨基苯并恶唑-草酸 (2/1)
Pub Date : 2024-01-01 DOI: 10.1107/S2414314624000336
Surayyo Razzoqova , Batirbay Torambetov , Jamoliddin Todjiev , Shakhnoza Kadirova , Aziz Ibragimov , Abror Ruzmetov , Jamshid Ashurov , R. J. Butcher (Editor)

In the title compound, proton transfer from oxalic acid to the N atom of the heterocycle has occurred to form a 2:1 molecular salt. In the extended structure, N—H⋯O hydrogen bonds link the components into [100] chains, which feature R 2 2(8) and R 4 4(14) loops.

In the title compound, 2C7H7N2O+·C2O4 2−, proton transfer from oxalic acid to the N atom of the heterocycle has occurred to form a 2:1 molecular salt. In the extended structure, N—H⋯O hydrogen bonds link the components into [100] chains, which feature R 2 2(8) and R 4 4(14) loops.

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在标题化合物 2C7H7N2O+-C2O4 2- 中,质子从草酸转移到杂环的 N 原子上,形成 2:1 的分子盐。在扩展结构中,N-H...O 氢键将各组分连接成 [100] 链,其中具有 R 2 2(8)和 R 4 4(14)环。
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引用次数: 0
(4-Butyl-1-ethyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)rhodium(I) tetra­fluorido­borate (4-丁基-1-乙基-1,2,4-三唑-5-亚基)[(1,2,5,6-η)-环辛烷-1,5-二烯](三苯基膦)四氟硼酸铑(I)
Pub Date : 2024-01-01 DOI: 10.1107/S2414314624000609
Timothy G. Lerch , Michael Gau , Daniel R. Albert , Edward Rajaseelan , W. T. A. Harrison (Editor)

In the title triazole-based N-heterocyclic carbene rhodium(I) cationic complex with a tetra­fluorido­borate counter-anion, the Rh center has a distorted square-planar coordination geometry with expected bond distances.

In the title triazole-based N-heterocyclic carbene rhodium(I) cationic complex with a tetra­fluorido­borate counter-anion, [Rh(C8H12)(C8H15N3)(C18H15P)]BF4, which crystallizes with two cations and two anions in the asymmetric unit, the Rh center has a distorted square-planar coordination geometry with expected bond distances. Several nonclassical C—H⋯F hydrogen-bonding inter­actions help to consolidate the packing. Two of the F atoms of one of the anions are disordered over adjacent sites in a 0.814 (4):0.186 (4) ratio.

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在标题为[Rh(C8H12)(C8H15N3)(C18H15P)]BF4 的三唑基 N-heterocyclic carbene 铑(I)阳离子配合物与四氟硼酸反离子中,结晶不对称单元中有两个阳离子和两个阴离子。几种非典型的 C-H...F 氢键相互作用有助于巩固堆积。其中一个阴离子的两个 F 原子以 0.814 (4):0.186 (4) 的比例无序地分布在相邻位点上。
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引用次数: 0
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