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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)
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
Chlorido­[(1,2,5,6-η)-cyclo­octa-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-yl­idene)rhodium(I) 氯[(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)铑(I)
Pub Date : 2024-07-01 DOI: 10.1107/S2414314624007041
Timothy G. Lerch , Michael Gau , Daniel R. Albert , Edward Rajaseelan

A new neutral triazole-based N-heterocyclic carbene rhodium(I) complex [RhCl(C8H12)(C8H15N3)], has been synthesized and structurally characterized. The complex crystallizes with two mol­ecules in the asymmetric unit. The rhodium center has a distorted square-planar conformation, formed by a cyclo­octa-1,5-diene (COD) ligand, an N-heterocyclic carbene (NHC) ligand, and a chloride ligand.

A new neutral triazole-based N-heterocyclic carbene rhodium(I) complex [RhCl(C8H12)(C8H15N3)], has been synthesized and structurally characterized. The complex crystallizes with two mol­ecules in the asymmetric unit. The central rhodium(I) atom has a distorted square-planar coordination environment, formed by a cyclo­octa-1,5-diene (COD) ligand, an N-heterocyclic carbene (NHC) ligand, and a chlorido ligand. The bond lengths are unexceptional. A weak inter­molecular non-standard hydrogen-bonding inter­action exists between the chlorido and NHC ligands.

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一种新的中性三唑基 N-杂环碳化铑(I)络合物 [RhCl(C8H12)(C8H15N3)] 已被合成并具有结构特征。该复合物的不对称单元中含有两个分子。中心铑(I)原子有一个扭曲的方形平面配位环境,由一个环辛烷-1,5-二烯(COD)配体、一个 N-杂环碳(NHC)配体和一个氯配体形成。其键长并不特殊。氯配体和 NHC 配体之间存在微弱的分子间非标准氢键相互作用。
{"title":"Chlorido­[(1,2,5,6-η)-cyclo­octa-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-yl­idene)rhodium(I)","authors":"Timothy G. Lerch ,&nbsp;Michael Gau ,&nbsp;Daniel R. Albert ,&nbsp;Edward Rajaseelan","doi":"10.1107/S2414314624007041","DOIUrl":"10.1107/S2414314624007041","url":null,"abstract":"<div><p>A new neutral triazole-based N-heterocyclic carbene rhodium(I) complex [RhCl(C<sub>8</sub>H<sub>12</sub>)(C<sub>8</sub>H<sub>15</sub>N<sub>3</sub>)], has been synthesized and structurally characterized. The complex crystallizes with two mol­ecules in the asymmetric unit. The rhodium center has a distorted square-planar conformation, formed by a cyclo­octa-1,5-diene (COD) ligand, an N-heterocyclic carbene (NHC) ligand, and a chloride ligand.</p></div><div><p>A new neutral triazole-based N-heterocyclic carbene rhodium(I) complex [RhCl(C<sub>8</sub>H<sub>12</sub>)(C<sub>8</sub>H<sub>15</sub>N<sub>3</sub>)], has been synthesized and structurally characterized. The complex crystallizes with two mol­ecules in the asymmetric unit. The central rhodium(I) atom has a distorted square-planar coordination environment, formed by a cyclo­octa-1,5-diene (COD) ligand, an N-heterocyclic carbene (NHC) ligand, and a chlorido ligand. The bond lengths are unexceptional. A weak inter­molecular non-standard hydrogen-bonding inter­action exists between the chlorido and NHC ligands.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (253KB)</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 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141810255","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(ethyl­enedi­ammonium) μ-ethyl­enedi­aminetetra­acetato-1κ3O,N,O′:2κ3O′′,N′,O′′′-bis­[tri­oxidomolybdate(VI)] tetra­hydrate 双(乙二铵)μ-乙二胺四乙酰氧基-1κ3 O,N,O′:2κ3 O′′,N′,O′′-双[三氧化钼(VI)]四水合物
Pub Date : 2024-07-01 DOI: 10.1107/S2414314624006679
Lamine Yaffa , Dame Seye , Antoine Blaise Kama , Assane Toure , Cheikh Abdoul Khadir Diop

The title compound is a binuclear complex of molybdenum with a ethyl­enedi­amine­tretra­acetate ligand bridging two MoO3 units.

The title compound, (C2H10N2)2[(C10H12N2O8)(MoO3)2]·4H2O, which crystallizes in the monoclinic C2/c space group, was obtained by mixing molybdenum oxide, ethyl­enedi­amine and ethyl­enedi­amine­tetra­acetic acid (H4edta) in a 2:4:1 ratio. The complex anion contains two MoO3 units bridged by an edta4− anion. The midpoint of the central C—C bond of the edta4− anion is located on a crystallographic inversion centre. The independent Mo atom is tridentately coordin­ated by a nitro­gen atom and two carboxyl­ate groups of the edta4− ligand, together with the three oxo ligands, producing a distorted octa­hedral coordination environment. In the three-dimensional supra­molecular crystal structure, the dinuclear anions, the organo­ammonium counter-ions and the solvent water mol­ecules are linked by N—H⋯Ow, N—H⋯Oedta and O—H⋯O hydrogen bonds.

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标题化合物 (C2H10N2)2[(C10H12N2O8)(MoO3)2]-4H2O 是通过将氧化钼、乙二胺和乙二胺四乙酸 (H4edta) 按 2:4:1 的比例混合而得到的,该化合物在单斜 C2/c 空间群中结晶。复合阴离子包含两个由 edta4- 阴离子桥接的 MoO3 单元。edta4- 阴离子中央 C-C 键的中点位于一个晶体学反转中心。独立的钼原子与 edta4- 配体的一个氮原子和两个羧基以及三个氧配体三方配位,形成一个畸变的八面体配位环境。在三维超分子晶体结构中,双核阴离子、有机铵反离子和溶剂水分子通过 N-H...Ow、N-H...Oedta 和 O-H.O 氢键相连。
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引用次数: 0
Dicarbonyl-1κ2C-μ-chlorido-2:3κ2Cl:Cl-penta­chlorido-2κ2Cl,3κ3Cl-[1(η6)-toluene]digallium(III)ruthenium(I)(Ru—Ga) 二羰基-1κ2 C-μ-chlorido-2:3κ2 Cl:Cl-pentachlorido-2κ2 Cl,3κ3 Cl-[1(η6)-toluene]digallium(III)ruthenium(I)(Ru-Ga)
Pub Date : 2024-07-01 DOI: 10.1107/S2414314624006576
Danielle Smith , George N. Harakas

The title compound is a ruthenium–gallium metal cluster. The ruthenium and gallium have a direct metal–metal bond with a length of 2.4575 (2) Å.

The title compound, [RuGa2Cl6(C7H8)(CO)2] or [(CO)2(GaCl2)(η6-toluene)Ru]+[GaCl4], was isolated from the reaction of Ga2Cl4 with di­phenyl­silanediol in toluene, followed by the addition of Ru3(CO)12. The compound contains a ruthenium–gallium metal–metal bond with a length of 2.4575 (2) Å.

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标题化合物[RuGa2Cl6(C7H8)(CO)2]或[(CO)2(GaCl2)(η6-甲苯)Ru]+[GaCl4]-是从 Ga2Cl4 与二苯基硅二醇在甲苯中的反应中分离出来的,随后加入了 Ru3(CO)12。该化合物含有一个长度为 2.4575 (2) Å 的钌镓金属-金属键。
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引用次数: 0
(η6-Benzene)­chlorido­[(S)-2-(4-isopropyl-4,5-di­hydro­oxazol-2-yl)phenolato]ruthenium(II) (η6-苯)氯化[(S)-2-(4-异丙基-4,5-二氢恶唑-2-基)苯酚]钌(II)
Pub Date : 2024-07-01 DOI: 10.1107/S241431462400720X
Monsuru T. Kelani , Alfred Muller , Koop Lammertsma

The title compound, [Ru(C12H14NO2)Cl(η6-C6H6)], exhibits a half-sandwich tripod stand structure and crystallizes in the ortho­rhom­bic space group P212121. The arene group is η6 π-coordinated to the Ru atom with a centroid-to-metal distance of 1.6590 (5) Å, with the (S)-2-(4-isopropyl-4,5-di­hydro­oxazol-2-yl)phenolate chelate ligand forming a bite angle of 86.88 (19)° through its N and phenolate O atoms.

The title compound, [Ru(C12H14NO2)Cl(η6-C6H6)], exhibits a half-sandwich tripod stand structure and crystallizes in the ortho­rhom­bic space group P212121. The arene group is η6 π-coordinated to the Ru atom with a centroid-to-metal distance of 1.6590 (5) Å, with the (S)-2-(4-isopropyl-4,5-di­hydro­oxazol-2-yl)phenolate chelate ligand forming a bite angle of 86.88 (19)° through its N and phenolate O atoms. The pseudo-octa­hedral geometry assumed by the complex is completed by a chloride ligand. The coordination of the optically pure bidentate ligand induces metal centered chirality onto the complex with a Flack parameter of −0.056.

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标题化合物[Ru(C12H14NO2)Cl(η6-C6H6)]呈半三明治三脚架结构,在正交空间群 P212121 中结晶。炔基与 Ru 原子呈 η6 π 配位,中心距为 1.6590 (5) Å,(S)-2-(4-异丙基-4,5-二氢恶唑-2-基)苯酚螯合配体通过其 N 原子和苯酚 O 原子形成 86.88 (19)° 的咬合角。该配合物的假八面体几何结构由一个氯配体完成。光学纯双齿配体的配位使配合物具有以金属为中心的手性,其 Flack 参数为 -0.056。
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引用次数: 0
6-[4-(tert-Butyl­dimethyl­sil­yloxy)phen­yl]-1-oxa­spiro­[2.5]hepta­ne 6-[4-(tert-Butyl-dimethyl-sil-yloxy)phen-yl]-1-oxa-spiro-[2.5]hepta-ne.
Pub Date : 2024-06-01 DOI: 10.1107/S241431462400590X
Edward A. Wetzel , Sergey Lindeman , William A. Donaldson , W. T. A. Harrison (Editor)

In the title compound, the O atom of the epoxide group has a pseudoaxial orientation and the dihedral angle between the cyclo­hexyl and benzene rings is 85.80 (8)°. The C—O—Si—Ct (t = tert-but­yl) torsion angle is −177.40 (14)°. In the crystal, pairwise C—H⋯O links connect the mol­ecules into inversion dimers featuring

(8) loops.

The title compound, C19H30O2Si, has triclinic (P

) symmetry at 100 K. The O atom of the epoxide group has a pseudoaxial orientation and the dihedral angle between the cyclo­hexyl and benzene rings is 85.80 (8)°. The C—O—Si—Ct (t = tert-but­yl) torsion angle is −177.40 (14)°. In the crystal, pairwise C—H⋯O links connect the mol­ecules into inversion dimers featuring R22(8) loops.
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标题化合物 C19H30O2Si 在 100 K 时具有三菱(P)对称性。环氧基团的 O 原子具有假轴向,环己基和苯环之间的二面角为 85.80 (8)°。C-O-Si-C t(t = 叔丁基)扭转角为-177.40 (14)°。在晶体中,成对的 C-H⋯O 链接将分子结构连接成具有 R 2 2(8)环的反转二聚体。
{"title":"6-[4-(tert-Butyl­dimethyl­sil­yloxy)phen­yl]-1-oxa­spiro­[2.5]hepta­ne","authors":"Edward A. Wetzel ,&nbsp;Sergey Lindeman ,&nbsp;William A. Donaldson ,&nbsp;W. T. A. Harrison (Editor)","doi":"10.1107/S241431462400590X","DOIUrl":"10.1107/S241431462400590X","url":null,"abstract":"<div><p>In the title compound, the O atom of the epoxide group has a pseudoaxial orientation and the dihedral angle between the cyclo­hexyl and benzene rings is 85.80 (8)°. The C—O—Si—C<sub>t</sub> (<em>t</em> = <em>tert</em>-but­yl) torsion angle is −177.40 (14)°. In the crystal, pairwise C—H⋯O links connect the mol­ecules into inversion dimers featuring <figure><img></figure>(8) loops.</p></div><div><p>The title compound, C<sub>19</sub>H<sub>30</sub>O<sub>2</sub>Si, has triclinic (<em>P</em><figure><img></figure>) symmetry at 100 K. The O atom of the epoxide group has a pseudoaxial orientation and the dihedral angle between the cyclo­hexyl and benzene rings is 85.80 (8)°. The C—O—Si—C<sub>t</sub> (<em>t</em> = <em>tert</em>-but­yl) torsion angle is −177.40 (14)°. In the crystal, pairwise C—H⋯O links connect the mol­ecules into inversion dimers featuring <em>R</em><sup>2</sup><sub>2</sub>(8) loops.<span><figure><span><img><ol><li><span>Download : <span>Download high-res image (200KB)</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 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223687/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141556417","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
Benzene-1,2,4,5-tetrol 苯-1,2,4,5-四醇。
Pub Date : 2024-06-01 DOI: 10.1107/S2414314624006126
Benjamin L. Weare , Sean Hoggett , William J. Cull , Stephen P. Argent , Andrei N. Khlobystov , Paul D. Brown , I. Brito (Editor)

Determination of the structure of benzene-1,2,4,5-tetrol

The crystal structure of the title compound was determined at 120 K. It crystallizes in the triclinic space group P

with four independent mol­ecules in the asymmetric unit. In the crystal, each symmetry-unique mol­ecule forms π–π stacks on itself, giving four unique π–π stacking inter­actions. Inter­molecular hydrogen bonding is observed between each pair of independent mol­ecules, where each hy­droxy group can act as a hydrogen-bond donor and acceptor.
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标题化合物的晶体结构是在 120 K 下测定的。它在三菱空间群 P 中结晶,不对称单元中有四个独立的分子单元。在晶体中,每个具有独特对称性的分子单元在自身上形成π-π堆积,从而产生四个独特的π-π堆积相互作用。在每对独立的分子小分子之间都可以观察到分子间氢键,其中每个羟基都可以充当氢键供体和受体。
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引用次数: 0
Bis(8-hy­droxy­quinolinium) naphthalene-1,5-di­sulfonate tetra­hydrate 双(8-羟基喹啉)萘-1,5-二磺酸盐四水合物。
Pub Date : 2024-06-01 DOI: 10.1107/S2414314624005704
Yusufjon Eshkobilovich Nazarov , Khayit Khudaynazarovich Turaev , Bekmurod Khurramovich Alimnazarov , Jabbor Ruziboevich Suyunov , Gulnora Abdurakhmonovna Umirova , Bakhtiyar Tulyaganovich Ibragimov , Jamshid Mengnorovich Ashurov , M. Weil (Editor)

The crystal structure of the organic salt features classical hydrogen-bonding inter­actions involving the 8-hy­droxy­quinolinium cation, the naphthalene-1,5-di­sulfonate anion and the two water mol­ecules of crystallization.

The inter­action between 8-hy­droxy­quinoline (8HQ, C9H7NO) and naphthalene-1,5-di­sulfonic acid (H2NDS, C10H8O6S2) in aqueous media results in the formation of the salt hydrate bis­(8-hy­droxy­quinolinium) naphthalene-1,5-di­sulfonate tetra­hydrate, 2C9H8NO+·C10H6O6S22−·4H2O. The asymmetric unit comprises one protonated 8HQ+ cation, half of an NDS2– dianion symmetrically disposed around a center of inversion, and two water mol­ecules. Within the crystal structure, these components are organized into chains along the [010] and [10

] directions through O—H⋯O and N—H⋯O hydrogen-bonding inter­actions, forming a di-periodic network parallel to (101). Additional stabilizing inter­actions such as C—H⋯O, C—H⋯π, and π–π inter­actions extend this arrangement into a tri-periodic network structure
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8-hy-droxy-quinoline (8HQ, C9H7NO) 和萘-1,5-二磺酸 (H2NDS, C10H8O6S2) 在水介质中相互作用,形成盐水合物双-(8-hy-droxy-quinolinium)萘-1,5-二磺酸四水合物,即 2C9H8NO+-C10H6O6S2 2--4H2O。不对称单元包括一个质子化的 8HQ+ 阳离子、围绕反转中心对称排列的半个 NDS2- 二元离子和两个水分子。在晶体结构中,这些成分沿着[010]和[10]方向通过 O-H⋯O 和 N-H⋯O 氢键相互作用组织成链,形成平行于 (101) 的双周期网络。额外的稳定相互作用,如 C-H⋯O、C-H⋯π 和 π-π 相互作用,将这种排列扩展为三周期网络结构。
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引用次数: 0
(2,5-Di­methyl­imidazole){N,N′,N′′,N′′′-[porphyrin-5,10,15,20-tetra­yltetra­(2,1-phenyl­ene)]tetra­kis(pyridine-3-carboxamide)}manganese(II) chloro­benzene disolvate (2,5-二甲基咪唑){N,N′,N′′,N′′′-[卟吩-5,10,15,20-四(2,1-亚苯)]四(吡啶-3-甲酰胺)}锰(II)氯苯二溶剂化物
Pub Date : 2024-06-01 DOI: 10.1107/S2414314624004978
Jun Yang , Cuijuan Zhang , Jiaxiang Chu , W. T. A. Harrison (Editor)

In the title compound, the central MnII ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-di­methyl­imidazole ligand in the apical site. Two chloro­benzene solvent mol­ecules are also present in the asymmetric unit.

In the title compound, [Mn(C68H44N12O4)(C5H8N2)]·2C6H5Cl, the central MnII ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-di­methyl­imidazole ligand in the apical site. Two chloro­benzene solvent mol­ecules are also present in the asymmetric unit. Due to the apical imidazole ligand, the Mn atom is displaced out of the 24-atom porphyrin mean plane by 0.66 Å. The average Mn—Np (p = porphyrin) bond length is 2.143 (8) Å, and the axial Mn—NIm (Im = 2,5-di­methyl­imidazole) bond length is 2.171 (8) Å. The structure displays inter­molecular and intra­molecular N—H⋯O, N—H⋯N, C—H⋯O and C—H⋯N hydrogen bonding. The crystal studied was refined as a two-component inversion twin.

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在标题化合物[Mn(C68H44N12O4)(C5H8N2)]-2C6H5Cl 中,中心 MnII 离子在基部位点与卟啉核心的四个吡咯 N 原子配位,在顶端位点与 2,5-二甲基咪唑配体的一个 N 原子配位。不对称单元中还有两个氯苯溶剂分子。由于顶端的咪唑配体,锰原子从 24 个原子的卟啉平均平面移出 0.66 Å。平均 Mn-Np(p = 卟啉)键长为 2.143(8)埃,轴向 Mn-NIm(Im = 2,5-二甲基咪唑)键长为 2.171(8)埃。该结构显示了分子间和分子内的 N-H...O、N-H...N、C-H...O 和 C-H...N 氢键。所研究的晶体被细化为双组分反转孪晶。
{"title":"(2,5-Di­methyl­imidazole){N,N′,N′′,N′′′-[porphyrin-5,10,15,20-tetra­yltetra­(2,1-phenyl­ene)]tetra­kis(pyridine-3-carboxamide)}manganese(II) chloro­benzene disolvate","authors":"Jun Yang ,&nbsp;Cuijuan Zhang ,&nbsp;Jiaxiang Chu ,&nbsp;W. T. A. Harrison (Editor)","doi":"10.1107/S2414314624004978","DOIUrl":"10.1107/S2414314624004978","url":null,"abstract":"<div><p>In the title compound, the central Mn<sup>II</sup> ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-di­methyl­imidazole ligand in the apical site. Two chloro­benzene solvent mol­ecules are also present in the asymmetric unit.</p></div><div><p>In the title compound, [Mn(C<sub>68</sub>H<sub>44</sub>N<sub>12</sub>O<sub>4</sub>)(C<sub>5</sub>H<sub>8</sub>N<sub>2</sub>)]·2C<sub>6</sub>H<sub>5</sub>Cl, the central Mn<sup>II</sup> ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-di­methyl­imidazole ligand in the apical site. Two chloro­benzene solvent mol­ecules are also present in the asymmetric unit. Due to the apical imidazole ligand, the Mn atom is displaced out of the 24-atom porphyrin mean plane by 0.66 Å. The average Mn—N<sub>p</sub> (p = porphyrin) bond length is 2.143 (8) Å, and the axial Mn—N<sub>Im</sub> (Im = 2,5-di­methyl­imidazole) bond length is 2.171 (8) Å. The structure displays inter­molecular and intra­molecular N—H⋯O, N—H⋯N, C—H⋯O and C—H⋯N hydrogen bonding. The crystal studied was refined as a two-component inversion twin.<span><figure><span><img><ol><li><span>Download : <span>Download high-res image (457KB)</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 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141267139","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
Poly[[{μ2-5-[(di­methyl­amino)(thioxo)meth­oxy]benzene-1,3-di­carboxyl­ato-κ4O1,O1′:O3,O3′}(μ2-4,4′-di­pyridyl­amine-κ2N4:N4′)cobalt(II)] di­methyl­formamide hemisolvate monohydrate] 聚[[{μ2-5-[(二甲基氨基)(硫酮)甲氧基]苯-1,3-二羧酸根-κ4 O 1,O 1′:O 3,O 3′}(μ2-4,4′-dipyr
Pub Date : 2024-06-01 DOI: 10.1107/S2414314624004899
Hui-Yu Qin , Bing-Guang Zhang , Qiao-Zhen Sun , M. Weil (Editor)

The crystal structure of the title compound shows a layered arrangement parallel to the bc plane where [CoO4N2] octa­hedra are linked by dmtb2– and dpa ligands.

In the crystal structure of the title compound, {[Co(C11H9NSO5)(C10H9N3)]0.5C3H7NO·H2O}n or {[Co(dmtb)(dpa)]·0.5DMF·H2O}n (dmtb2– = 5-[(di­meth­yl­amino)­thioxometh­oxy]-1,3-benzene­dicarboxyl­ate and dpa = 4,4′-di­pyridyl­amine), an assembly of periodic [Co(C11H9NSO5)(C10H9N3)]n layers extending parallel to the bc plane is present. Each layer is constituted by distorted [CoO4N2] octa­hedra, which are connected through the μ2-coordination modes of both dmtb2– and dpa ligands. Occupationally disordered water and di­meth­yl­formamide (DMF) solvent mol­ecules are located in the voids of the network to which they are connected through hydrogen-bonding inter­actions.

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在标题化合物的晶体结构中,{[Co(C11H9NSO5)(C10H9N3)]0.5C3H7NO-H2O} n 或 {[Co(dmtb)(dpa)]-0.5DMF-H2O}n(dmtb2- = 5-[(二甲基氨基)硫氧甲氧基]-1,3-苯二甲酸酯,dpa = 4,4′-二吡啶基胺),出现了平行于 bc 平面延伸的周期性[Co(C11H9NSO5)(C10H9N3)] n 层组合。每一层都由扭曲的[CoO4N2]八面体构成,这些八面体通过 dmtb2- 和 dpa 配体的 μ 2 配位模式连接在一起。占据无序的水和二甲基甲酰胺(DMF)溶剂分子位于网络的空隙中,它们通过氢键相互作用与网络连接。
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引用次数: 0
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