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Bis[μ-3-(pyridin-2-yl)pyrazolato]bis­[acetato­(3,5-dimethyl-1H-pyrazole)­nickel(II)] 双[μ-3-(吡啶-2-基)吡唑鎓]双[乙酸(3,5-二甲基-1H-吡唑)镍(II)
IUCrData
Pub Date : 2024-08-01 DOI: 10.1107/S2414314624008101
Thangamuniyandi Pilavadi , Soundararajan Krishnan , Nagarajan Loganathan

The title compound is a dimeric nickel(II) coordination compound containing two different substituted pyrazoles ligands, namely 3,5-di­methyl­pyrazole and 3-(pyridin-2-yl) pyrazole along with acetate.

The title compound, [Ni2(C8H6N3)2(C2H3O2)2(C5H8N2)2] or [Ni(μ-OOCCH3)(2-PyPz)(Me2PzH)]2 (1) [2-PyPz = 3-(pyridin-2-yl) pyrazole; Me2PzH = 3,5-dimethyl pyrazole] was synthesized from Ni(OOCCH3)2·4H2O, 2-PyPzH, Me2PzH and tri­ethyl­amine as a base. Compound 1 {[Ni2(C30H34N10Ni2O4)]} at 100 K has monoclinic (P21/n) symmetry and the mol­ecules have crystallographic inversion symmetry. Mol­ecules of 1 comprise an almost planar dinuclear NiII core with an N4O2 coordination environment. The equatorial plane consists of N3,O coordination derived from one of the bidentate acetate O atoms and three of the N atoms of the chelating 2-PyPz ligand while the axial positions are occupied by neutral Me2PzH and the second O atom of the acetate unit. The Ni atoms are bridged by the nitro­gen atom of a deprotonated 2-PyPz ligand. Compound 1 exhibits various inter- and intra­molecular C—H⋯O and N—H⋯O hydrogen bonds.

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标题化合物是一种二聚镍(II)配位化合物，含有两种不同的取代吡唑配体，即 3,5-二甲基吡唑和 3-(吡啶-2-基)吡唑以及乙酸酯。标题化合物[Ni2(C8H6N3)2(C2H3O2)2(C5H8N2)2]或[Ni(μ-OOCCH3)(2-PyPz)(Me2PzH)]2 (1) [2-PyPz = 3-(吡啶-2-基)吡唑；Me2PzH = 3,5-二甲基吡唑]由 Ni(OOCCH3)2-4H2O、2-PyPzH、Me2PzH 和作为碱的三乙胺合成。化合物 1 {[Ni2(C30H34N10Ni2O4)]} 在 100 K 时具有单斜（P21/n）对称性，分子具有晶体反转对称性。1 的分子由一个几乎是平面的二核 NiII 核心和一个 N4O2 配位环境组成。赤道面由 N3,O 配位组成，该配位来自于双齿乙酸酯的一个 O 原子和螯合 2-PyPz 配体的三个 N 原子，而轴向位置则由中性的 Me2PzH 和乙酸酯单元的第二个 O 原子占据。镍原子由去质子化 2-PyPz 配体的氮原子桥接。化合物 1 表现出多种分子间和分子内 C-H⋯O 和 N-H⋯O 氢键：下载高清图片 (398KB)Download：下载全尺寸图片
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引用次数: 0
Pinaverium bromide 溴化蒎烯
IUCrData
Pub Date : 2024-08-01 DOI: 10.1107/S2414314624006539
Yoann Rousselin , Alexandre Clavel

The title compound is a morpholinium derivative with the positive charge located on the N atom.

The structure of pinaverium bromide (systematic name: 4-[(2-bromo-4,5-di­meth­oxy­phen­yl)meth­yl]-4-{2-[2-(6,6-dimethyl-2-bi­cyclo­[3.1.1]hepta­nyl)eth­oxy]eth­yl}morpholin-4-ium bromide; C26H41Br2NO4), was determined at 110 K. It has monoclinic (P21) symmetry. It is of inter­est with respect to its anti-inflammatory properties. The asymmetric unit contains two independent mol­ecules, one of which exhibits disorder of the bi­cyclo terminal group (occupancy factors: 0.78 and 0.22).

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在 110 K 温度下测定了溴化吡喹啉（系统名称：4-[(2-溴-4,5-二甲氧基苯基)甲基]-4-{2-[2-(6,6-二甲基-2-双环[3.1.1]庚基)乙氧基]乙基}吗啉-4-鎓溴化物；C26H41Br2NO4）的结构。它具有单斜（P21）对称性。它的抗炎特性令人感兴趣。该不对称单元包含两个独立的分子，其中一个分子的双环末端基团呈现无序状态（占位系数：0.78 和 0.22）：下载高清图片 (203KB)Download：下载全尺寸图片
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引用次数: 0
[(1,2,5,6-η)-Cyclo­octa-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phosphane)rhodium(I) tetra­fluorido­borate [(1,2,5,6-η)-环辛烷-1,5-二烯](1-乙基-4-异丁基-1,2,4-三唑-5-亚基)(三苯基膦)四氟硼酸铑(I)
IUCrData
Pub Date : 2024-08-01 DOI: 10.1107/S2414314624007454
Timothy G. Lerch , Michael Gau , Daniel R. Albert , Edward Rajaseelan

There are two independent ion pairs in the asymmetric unit with each complex cation exhibiting a distorted square-planar conformation around the rhodium(I) atom.

A new, cationic N-heterocyclic carbene RhI complex with a tetra­fluorido­borate counter-anion, [Rh(C8H12)(C8H15N3)(C18H15P)]BF4, has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit. Each complex cation exhibits a distorted square-planar conformation around the RhI atom. Bond lengths and bond angles are as expected for an Rh–NHC complex. There are several close, non-standard C—H⋯F hydrogen-bonding inter­actions between the ions. One of the tetra­fluorido­borate anions shows statistical disorder of the F atoms.

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在不对称单元中有两个独立的离子对，每个配合物阳离子都围绕铑（I）原子呈现扭曲的方平面构象。不对称单元中有两个独立的离子对。每个配合物阳离子都围绕着 RhI 原子呈现扭曲的方平面构象。键长和键角符合 Rh-NHC 复合物的预期。离子之间存在几种紧密的、非标准的 C-H⋯F 氢键相互作用。其中一个四氟硼酸阴离子的 F 原子出现了统计紊乱：下载高清图片 (283KB)Download：下载全尺寸图像
{"title":"[(1,2,5,6-η)-Cyclo­octa-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phosphane)rhodium(I) tetra­fluorido­borate","authors":"Timothy G. Lerch ,&nbsp;Michael Gau ,&nbsp;Daniel R. Albert ,&nbsp;Edward Rajaseelan","doi":"10.1107/S2414314624007454","DOIUrl":"10.1107/S2414314624007454","url":null,"abstract":"<div><p>There are two independent ion pairs in the asymmetric unit with each complex cation exhibiting a distorted square-planar conformation around the rhodium(I) atom.</p></div><div><p>A new, cationic <em>N</em>-heterocyclic carbene Rh<sup>I</sup> complex with a tetra­fluorido­borate counter-anion, [Rh(C<sub>8</sub>H<sub>12</sub>)(C<sub>8</sub>H<sub>15</sub>N<sub>3</sub>)(C<sub>18</sub>H<sub>15</sub>P)]BF<sub>4</sub>, has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit. Each complex cation exhibits a distorted square-planar conformation around the Rh<sup>I</sup> atom. Bond lengths and bond angles are as expected for an Rh–NHC complex. There are several close, non-standard C—H⋯F hydrogen-bonding inter­actions between the ions. One of the tetra­fluorido­borate anions shows statistical disorder of the F atoms.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (283KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150357","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
Norfloxacinium nitrate 硝酸诺氟沙星
IUCrData
Pub Date : 2024-08-01 DOI: 10.1107/S2414314624008137
Abdusamat Rasulov , Batirbay Torambetov , Bekmurod Alimnazarov , Shakhnoza Kadirova , Jabbor Suyunov , Yusufjon Nazarov , Jamshid Ashurov

The components of the title mol­ecular salt are linked by N—H⋯O hydrogen bonds and aromatic π–π stacking inter­actions.

In the title salt [systematic name: 4-(3-carb­oxy-1-ethyl-6-fluoro-4-oxo-1,4-di­hydro­quin­olin-7-yl)piperazin-1-ium nitrate], C16H19FN3O3+·NO3−, proton transfer from nitric acid to the N atom of the piperazine ring of norfloxacin has occurred to form a mol­ecular salt. In the extended structure, N—H⋯O hydrogen bonds link alternating cations and anions into [100] chains, which are reinforced by aromatic π–π stacking inter­actions between the quinoline moieties of the norfloxacinium cations.

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在标题盐[系统名称：4-(3-羧基-1-乙基-6-氟-4-氧代-1,4-二氢喹啉-7-基)哌嗪-1-鎓硝酸盐]（C16H19FN3O3+-NO3-）中，质子从硝酸转移到了诺氟沙星的哌嗪环的 N 原子上，形成了分子盐。在扩展结构中，N-H⋯O 氢键将交替出现的阳离子和阴离子连接成 [100] 链，而诺氟沙星阳离子的喹啉分子之间的芳香族 π-π 堆积相互作用又加强了这种连接：下载高清图片 (245KB)Download：下载全尺寸图像
{"title":"Norfloxacinium nitrate","authors":"Abdusamat Rasulov ,&nbsp;Batirbay Torambetov ,&nbsp;Bekmurod Alimnazarov ,&nbsp;Shakhnoza Kadirova ,&nbsp;Jabbor Suyunov ,&nbsp;Yusufjon Nazarov ,&nbsp;Jamshid Ashurov","doi":"10.1107/S2414314624008137","DOIUrl":"10.1107/S2414314624008137","url":null,"abstract":"<div><p>The components of the title mol­ecular salt are linked by N—H⋯O hydrogen bonds and aromatic π–π stacking inter­actions.</p></div><div><p>In the title salt [systematic name: 4-(3-carb­oxy-1-ethyl-6-fluoro-4-oxo-1,4-di­hydro­quin­olin-7-yl)piperazin-1-ium nitrate], C<sub>16</sub>H<sub>19</sub>FN<sub>3</sub>O<sub>3</sub><sup>+</sup>·NO<sub>3</sub><sup>−</sup>, proton transfer from nitric acid to the N atom of the piperazine ring of norfloxacin has occurred to form a mol­ecular salt. In the extended structure, N—H⋯O hydrogen bonds link alternating cations and anions into [100] chains, which are reinforced by aromatic π–π stacking inter­actions between the quinoline moieties of the norfloxacinium cations.<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></p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150363","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
Diisobutyl­ammonium tri­phenyl(2-thiolato­acetato-κ2O,S)stannate(IV) 二异丁基三苯基(2-硫醇基乙酸酯-κ2 O，S)锡酸铵(IV)
IUCrData
Pub Date : 2024-08-01 DOI: 10.1107/S2414314624007429
Xueqing Song , Woldegebriel Yeibyo , William Li , Robert D. Pike

The title salt features a distorted cis-trigonal-bipyramid coordination geometry around the tin atom.

Crystals of the title salt, (C8H20N)[Sn(C6H5)3(C2H2O2S)], comprise diisobutyl­ammonium cations and mercapto­acetato­tri­phenyl­stannate(IV) anions. The bidentate binding mode of the mercapto­acetate ligand gives rise to a five-coordinated, ionic tri­phenyl­tin complex with a distorted cis-trigonal–bipyramidal geometry around the tin atom. In the crystal, charge-assisted ammonium-N—H⋯O(carboxyl­ate) hydrogen-bonding connects two cations and two anions into a four-ion aggregate. Two positions were resolved for one of the phenyl rings with the major component having a site occupancy factor of 0.60 (3).

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标题盐 (C8H20N)[Sn(C6H5)3(C2H2O2S)]的晶体由二异丁基铵阳离子和巯基乙酸三苯基锡（IV）阴离子组成。巯基乙酸配体的双齿结合模式产生了一种五配位离子型三苯基锡配合物，该配合物在锡原子周围具有畸变的顺三叉双锥几何形状。在晶体中，电荷辅助铵-N-H...O（羧酸盐）氢键将两个阳离子和两个阴离子连接成一个四离子聚合体。其中一个苯基环有两个位置，主要成分的位点占有因子为 0.60 (3)。
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引用次数: 0
Di­chloridotetra­kis­(3-meth­oxy­aniline)nickel(II) 二氯四(3-甲氧基苯胺)镍(II)
IUCrData
Pub Date : 2024-08-01 DOI: 10.1107/S2414314624007764
Benjamin A. Mukda , Diane A. Dickie , Mark M. Turnbull

The complex sits in a general position. Each NiII ion has an N4Cl2 coordination sphere. Weak hydrogen bonding exists between three of the amino groups and the chloride ions of an adjacent mol­ecule. Chains of mol­ecules, linked by the hydrogen bonding and short Cl⋯Cl contacts, are well separated by the 3-meth­oxy­aniline ligands.

The reaction of nickel(II) chloride with 3-meth­oxy­aniline yielded di­chlorido­tetra­kis­(3-meth­oxy­aniline)nickel(II), [NiCl2(C7H9NO)4], as yellow crystals. The NiII ion is pseudo-octa­hedral with the chloride ions trans to each other. The four 3-meth­oxy­aniline ligands differ primarily due to different conformations about the Ni—N bond, which also affect the hydrogen bonding. Inter­molecular N—H⋯ Cl hydrogen bonds and short Cl⋯Cl contacts between mol­ecules link them into chains parallel to the b axis.

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复合物处于一般位置。每个 NiII 离子都有一个 N4Cl2 配位层。三个氨基与相邻分子的氯离子之间存在弱氢键。氯化镍(II)与 3-甲氧基苯胺反应生成的二氯四(3-甲氧基苯胺)镍(II)[NiCl2(C7H9NO)4]为黄色晶体。NiII 离子为假八面体，氯离子互为反式。四种 3-甲氧基苯胺配体的不同主要是由于 Ni-N 键的构象不同，这也影响了氢键。分子间的 N-H⋯ Cl 氢键和短的 Cl⋯Cl 接触将它们连接成平行于 b 轴的链：下载高清图片 (326KB)Download：下载全尺寸图像
{"title":"Di­chloridotetra­kis­(3-meth­oxy­aniline)nickel(II)","authors":"Benjamin A. Mukda ,&nbsp;Diane A. Dickie ,&nbsp;Mark M. Turnbull","doi":"10.1107/S2414314624007764","DOIUrl":"10.1107/S2414314624007764","url":null,"abstract":"<div><p>The complex sits in a general position. Each Ni<sup>II</sup> ion has an N<sub>4</sub>Cl<sub>2</sub> coordination sphere. Weak hydrogen bonding exists between three of the amino groups and the chloride ions of an adjacent mol­ecule. Chains of mol­ecules, linked by the hydrogen bonding and short Cl⋯Cl contacts, are well separated by the 3-meth­oxy­aniline ligands.</p></div><div><p>The reaction of nickel(II) chloride with 3-meth­oxy­aniline yielded di­chlorido­tetra­kis­(3-meth­oxy­aniline)nickel(II), [NiCl<sub>2</sub>(C<sub>7</sub>H<sub>9</sub>NO)<sub>4</sub>], as yellow crystals. The Ni<sup>II</sup> ion is pseudo-octa­hedral with the chloride ions <em>trans</em> to each other. The four 3-meth­oxy­aniline ligands differ primarily due to different conformations about the Ni—N bond, which also affect the hydrogen bonding. Inter­molecular N—H⋯ Cl hydrogen bonds and short Cl⋯Cl contacts between mol­ecules link them into chains parallel to the <em>b</em> axis.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (326KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150241","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
Methyl 2-[(Z)-5-bromo-2-oxoindolin-3-yl­idene]­hydrazinecarbodi­thio­ate 2-[(Z)-5-溴-2-氧代吲哚啉-3-亚基]肼二硫代甲酸甲酯
IUCrData
Pub Date : 2024-08-01 DOI: 10.1107/S2414314624007879
Mohd Abdul Fatah Abdul Manan , David B. Cordes , Aidan P. McKay

The crystal structure of a new S-methyl-substituted di­thio­carbazate imine containing the 5-bromo­isatin moiety is described.

The title compound, C10H8BrN3OS2, a brominated di­thio­carbazate imine deriv­ative, was obtained from the condensation reaction of S-methyl­dithio­carbazate (SMDTC) and 5-bromo­isatin. The essentially planar mol­ecule exhibits a Z configuration, with the di­thio­carbazate and 5-bromo­isatin fragments located on the same sides of the C=N azomethine bond, which allows for the formation of an intra­molecular N—H⋯Ob (b = bromo­isatin) hydrogen bond generating an S(6) ring motif. In the crystal, adjacent mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming dimers characterized by an R22(8) loop motif. In the extended structure, mol­ecules are linked into a three-dimensional network by C—H⋯S and C—H⋯Br hydrogen bonds, C—Br⋯S halogen bonds and aromatic π–π stacking.

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标题化合物 C10H8BrN3OS2 是一种溴化二硫代氨基甲酸酯亚胺衍生物，由 S-甲基二硫代氨基甲酸酯（SMDTC）和 5-溴靛红缩合反应得到。该分子基本呈平面 Z 型构型，二硫代氨基甲酸盐和 5-溴靛红片段位于 C=N 偶氮甲基键的同一侧，这使得分子内 N-H⋯Ob （b = 溴靛红）氢键的形成产生了一个 S(6) 环图案。在晶体中，相邻分子通过成对的 N-H⋯O 氢键相连，形成以 R22(8) 环图案为特征的二聚体。在扩展结构中，分子通过 C-H⋯S 和 C-H⋯Br 氢键、C-Br⋯S 卤素键以及芳香族 π-π 堆积连接成一个三维网络：下载高清图片 (246KB)Download：下载全尺寸图片
{"title":"Methyl 2-[(Z)-5-bromo-2-oxoindolin-3-yl­idene]­hydrazinecarbodi­thio­ate","authors":"Mohd Abdul Fatah Abdul Manan ,&nbsp;David B. Cordes ,&nbsp;Aidan P. McKay","doi":"10.1107/S2414314624007879","DOIUrl":"10.1107/S2414314624007879","url":null,"abstract":"<div><p>The crystal structure of a new <em>S</em>-methyl-substituted di­thio­carbazate imine containing the 5-bromo­isatin moiety is described.</p></div><div><p>The title compound, C<sub>10</sub>H<sub>8</sub>BrN<sub>3</sub>OS<sub>2</sub>, a brominated di­thio­carbazate imine deriv­ative, was obtained from the condensation reaction of <em>S</em>-methyl­dithio­carbazate (SMDTC) and 5-bromo­isatin. The essentially planar mol­ecule exhibits a <em>Z</em> configuration, with the di­thio­carbazate and 5-bromo­isatin fragments located on the same sides of the C=N azomethine bond, which allows for the formation of an intra­molecular N—H⋯O<sub>b</sub> (b = bromo­isatin) hydrogen bond generating an <em>S</em>(6) ring motif. In the crystal, adjacent mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming dimers characterized by an <em>R</em><sup>2</sup><sub>2</sub>(8) loop motif. In the extended structure, mol­ecules are linked into a three-dimensional network by C—H⋯S and C—H⋯Br hydrogen bonds, C—Br⋯S halogen bonds and aromatic π–π stacking.<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></p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150369","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
Bis{(S)-(−)-N-[(2-biphen­yl)methyl­idene]-1-(4-meth­oxy­phen­yl)ethyl­amine-κN}di­chlorido­palladium(II) 双{(S)-(-)-N-[(2-联苯基)甲基-亚烯]-1-(4-甲氧基-苯基)乙胺-κN}二氯钯(II)。
IUCrData
Pub Date : 2024-07-01 DOI: 10.1107/S2414314624005558
Bertin Anzaldo , René Gutiérrez Pérez , Guadalupe Hernández Téllez , Ángel Mendoza , Gloria E. Moreno Morales

The Pd atom is coordinated by two nitro­gen atoms from two trans-aligned imine ligands and two chlorine atoms in an essentially square-planar environment.

The PdII complex bis­{(S)-(−)-N-[(biphenyl-2-yl)methyl­idene]1-(4-meth­oxy­phen­yl)ethanamine-κN}di­chlorido­palladium(II), [PdCl2(C22H21NO)2], crystallizes in the monoclinic Sohncke space group P21 with a single mol­ecule in the asymmetric unit. The coordination environment around the palladium is slightly distorted square planar. The N—Pd—Cl bond angles are 91.85 (19), 88.10 (17), 89.96 (18), and 90.0 (2)°, while the Pd—Cl and Pd—N bond lengths are 2.310 (2) and 2.315 (2) Å and 2.015 (2) and 2.022 (6) Å, respectively. The crystal structure features inter­molecular N—H⋯Cl and intramolecular C—H⋯Pd inter­actions, which lead to the formation of a supramolecular framework structure.

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双-{(S)-(-)-N-[(联苯-2-基)甲基-亚烯]1-(4-甲氧基-苯-基)乙胺-κN}二氯二钯(II)[PdCl2(C22H21NO)2]钯(II)复合物在单斜索恩克空间群 P21 中结晶，不对称单元中只有一个摩尔单元。钯周围的配位环境是略微扭曲的方形平面。N-Pd-Cl 键的角度分别为 91.85 (19)、88.10 (17)、89.96 (18) 和 90.0 (2)°，而 Pd-Cl 和 Pd-N 键的长度分别为 2.310 (2) 和 2.315 (2) Å，以及 2.015 (2) 和 2.022 (6) Å。该晶体结构的特点是分子间 N-H⋯Cl 和分子内 C-H⋯Pd 相互作用，从而形成了超分子框架结构。
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引用次数: 0
[1-(Anthracen-9-ylmeth­yl)-1,4,7,10-tetra­aza­cyclododeca­ne]chlorido­zinc(II) nitrate [1-(蒽-9-基甲基)-1,4,7,10-四氮杂环十二烯]氯化锌硝酸盐。
IUCrData
Pub Date : 2024-07-01 DOI: 10.1107/S2414314624006655
Yoshimi Ichimaru , Kirara Sugiura , Koichi Kato , Yuki Kondo , Masaaki Kurihara , Wanchun Jin , Masanori Imai , Hiromasa Kurosaki

The ZnII atom in the complex cation of the title salt has a square-pyramidal coordination environment defined by four nitro­gen atoms from cyclen (1,4,7,10-tetra­aza­cyclo­dodeca­ne) in the basal plane and one chlorido ligand in the apical position.

In the title salt, [ZnCl(C23H30N4)]NO3, the central ZnII atom of the complex cation is coordinated in a square-pyramidal arrangement by four nitro­gen atoms from cyclen (1,4,7,10-tetra­aza­cyclo­dodeca­ne) in the basal plane and one chlorido ligand in the apical position. The anthracene group attached to cyclen contributes to the crystal packing through inter­molecular T-shaped π inter­actions. Additionally, the nitrate anion participates in inter­molecular N—H⋯O hydrogen bonds with cyclen.

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在标题盐[ZnCl(C23H30N4)]NO3 中，络合物阳离子的中心 ZnII 原子与环烯（1,4,7,10-四氮杂环十二烯）的四个硝基原子在基面上以方阵排列方式配位，一个氯配体在顶端位置配位。环烯上的蒽基通过分子间的 T 型 π 相互作用形成晶体结构。此外，硝酸阴离子还与环烯形成分子间 N-H⋯O 氢键。
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引用次数: 0
Poly[[μ3-2-(benzotriazol-1-yl)acetato-κ3O:O′:N3]chlorido­(ethanol-κO)cobalt(II)] 聚[[μ3-2-(苯并三唑-1-基)乙酸酯-κ3 O:O′:N 3]氯化(乙醇-κO)钴(II)
IUCrData
Pub Date : 2024-07-01 DOI: 10.1107/S2414314624006308
Yun-Yun Zheng , De-Sen Su , Qing-Hua Yao , Min-Min Huang

The reaction of 2-(benzotriazol-1-yl) acetic acid with CoCl2 at room temperature in ethanol generates the title three-dimensional cobalt-based coordination polymer.

In the title compound, [Co(C8H6N3O2)Cl(C2H5OH)]n, the CoII atoms adopt octa­hedral trans-CoN2O4 and tetra­hedral CoCl2O2 coordination geometries (site symmetries

and m, respectively). The bridging μ3-O:O:N 2-(benzotriazol-1-yl)acetato ligands connect the octa­hedral cobalt nodes into (010) sheets and the CoCl2 fragments link the sheets into a tri-periodic network. The structure displays O—H⋯O hydrogen bonding and the ethanol mol­ecule is disordered over two orientations.
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在标题化合物[Co(C8H6N3O2)Cl(C2H5OH)] n 中，CoII 原子采用八面体反式-CoN2O4 和四面体 CoCl2O2 配位几何结构（位点对称性分别为 overline{1} 和 m）。桥接的 μ3-O:O:N 2-（苯并三唑-1-基）乙酸配体将八面体钴节点连接成 (010) 片，而 CoCl2 片段则将这些片连接成一个三周期网络。该结构显示出 O-H...O 氢键，乙醇分子在两个方向上是无序的。
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引用次数: 0
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