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Crystal structure of 4-[(3-methyl-but-3-eno-yl)-oxy]phenyl 4-n-hexyl-oxybenzoate. 4-[(3-甲基-但3-烯基)-氧]苯基4-正己基氧苯甲酸酯的晶体结构。
Pub Date : 2017-06-20 eCollection Date: 2017-07-01 DOI: 10.1107/S2056989017008568
Lyudmila G Kuz'mina, Ivan I Konstantinov, Andrei V Churakov, Mger A Navasardyan

The structure of the title compound, C23H26O5 or CH2=C(CH3)-C(O)O-C6H4-O(O)C-C6H4-OC6H13, has been determined. The mol-ecule is non-planar and the dihedral angle between the phenyl rings is 50.72 (4)°. The crystal packing differs from those typical for mesogenic compounds. Only a weak directional inter-action of the C-H⋯O type combines mol-ecules in endless chains running along the a axis.

标题化合物C23H26O5或CH2=C(CH3)-C(O)O- c6h4 -O(O)C- c6h4 - oc6h13的结构已经确定。该分子呈非平面结构,苯环之间的二面角为50.72(4)°。晶体堆积不同于那些典型的介生化合物。只有C-H⋯O型的弱定向相互作用将分子结合在沿着a轴运行的无穷链中。
{"title":"Crystal structure of 4-[(3-methyl-but-3-eno-yl)-oxy]phenyl 4-<i>n</i>-hexyl-oxybenzoate.","authors":"Lyudmila G Kuz'mina,&nbsp;Ivan I Konstantinov,&nbsp;Andrei V Churakov,&nbsp;Mger A Navasardyan","doi":"10.1107/S2056989017008568","DOIUrl":"https://doi.org/10.1107/S2056989017008568","url":null,"abstract":"<p><p>The structure of the title compound, C<sub>23</sub>H<sub>26</sub>O<sub>5</sub> or CH<sub>2</sub>=C(CH<sub>3</sub>)-C(O)O-C<sub>6</sub>H<sub>4</sub>-O(O)C-C<sub>6</sub>H<sub>4</sub>-OC<sub>6</sub>H<sub>13</sub>, has been determined. The mol-ecule is non-planar and the dihedral angle between the phenyl rings is 50.72 (4)°. The crystal packing differs from those typical for mesogenic compounds. Only a weak directional inter-action of the C-H⋯O type combines mol-ecules in endless chains running along the <i>a</i> axis.</p>","PeriodicalId":7015,"journal":{"name":"Acta Crystallographica Section E Crystallographic Communications","volume":" ","pages":"1052-1055"},"PeriodicalIF":0.0,"publicationDate":"2017-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S2056989017008568","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"35290897","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: 7
Crystal structure of N'-[2-(benzo[d]thia-zol-2-yl)acet-yl]-4-methyl-benzene-sulfono-hydrazide. N'-[2-(苯并[d]噻唑-2-基)乙酰基]-4-甲基苯磺酰肼的晶体结构。
Pub Date : 2017-06-16 eCollection Date: 2017-07-01 DOI: 10.1107/S2056989017008738
Rasha A Azzam, Galal H Elgemeie, Rasha E Elsayed, Peter G Jones

In the title compound, C16H15N3O3S2, the hydrazide N atom bonded to the C=O group is planar, whereas that bonded to the SO2 group is pyramidally coordinated. The inter-planar angle between the ring systems is 40.71 (3)°. Mol-ecules are connected into ribbons parallel to the b axis by two classical hydrogen bonds N-H⋯O=C and N-H⋯Nthia-zole.

在标题化合物C16H15N3O3S2中,与C=O基团键合的酰氮原子是平面的,而与SO2基团键合的酰氮原子是金字塔配位的。环系之间的平面夹角为40.71(3)°。分子通过两个经典氢键N-H⋯O=C和N-H⋯Nthia-zole连接成平行于b轴的带状。
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引用次数: 8
Crystal structure of di-chlorido-(1,2-phenyl-enedi-amine-κ2N,N')platinum(II). 二氯-(1,2-苯基-烯二胺-κ 2n,N′)铂的晶体结构(ⅱ)
Pub Date : 2017-06-13 eCollection Date: 2017-07-01 DOI: 10.1107/S2056989017008477
Yosuke Konno, Nobuyuki Matsushita

The PtII atom in the title compound, [PtCl2{(C6H4)(NH2)2}], lies on a twofold rotation axis and has a slightly distorted square-planar coordination environment defined by two N atoms of an 1,2-phenyl-enedi-amine ligand and two Cl- ions. In the crystal, the planar complex mol-ecules are stacked parallel to the c axis, resulting in a columnar structure. In a column, an infinite almost straight Pt⋯Pt chain is formed, suggesting weak metal-metal inter-actions [Pt⋯Pt = 3.3475 (8) Å]. The crystal packing is stabilized by a three-dimensional N-H⋯Cl hydrogen-bonding network between the amino groups and the Cl ligands of adjacent mol-ecules.

标题化合物[PtCl2{(C6H4)(NH2)2}]中的PtII原子位于双旋转轴上,具有由1,2-苯基烯二胺配体的两个N原子和两个Cl-离子定义的轻微扭曲的方形平面配位环境。在晶体中,平面复杂分子平行于c轴堆叠,形成柱状结构。在柱状结构中,形成了无限的几乎直的Pt⋯Pt链,表明金属-金属之间的相互作用很弱[Pt⋯Pt = 3.3475 (8) Å]。晶体填料由氨基和相邻分子的Cl配体之间的三维N-H⋯Cl氢键网络稳定。
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引用次数: 0
Crystal structure and Hirshfeld surface analysis of (E)-4-amino-N'-[1-(4-methyl-phen-yl)ethyl-idene]benzohydrazide. (E)-4-氨基- n '-[1-(4-甲基-苯基)乙基]苯并肼的晶体结构和Hirshfeld表面分析。
Pub Date : 2017-06-13 eCollection Date: 2017-07-01 DOI: 10.1107/S205698901700857X
Palaniyappan Sivajeyanthi, Muthaiah Jeevaraj, Bellarmin Edison, Kasthuri Balasubramani

The structure of the title Schiff base, C16H17N3O, displays a trans configuration with respect to the C=N double bond, with a dihedral angle of 14.98 (9)° between the benzene rings. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen-bonding inter-actions, giving sheets extending across the (001) plane. Hirshfeld surface analysis gave fingerprint plots showing enrichment ratios for H⋯H, O⋯H, N⋯H and C⋯H contacts compared to C⋯C, N⋯N and C⋯N contacts, indicating a high propensity for H⋯H interactions to form in the crystal.

标题希夫碱c16h17n30o的结构为C=N双键的反式构型,苯环之间的二面角为14.98(9)°。在晶体中,分子由N-H⋯O和C-H⋯O氢键相互作用连接,形成横跨(001)平面的薄片。Hirshfeld表面分析给出了指纹图谱,显示了与C⋯C、N⋯N和C⋯N接触相比,H⋯H、O⋯H、N⋯H和C⋯N接触的富集比,表明在晶体中形成H⋯H相互作用的倾向很高。
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引用次数: 2
Crystal structure of bis-[tetra-kis-(tetra-hydro-furan-κO)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-tert-butylphenolato)-κ4O,O':O',O'']-dimagnesiate. 双-[四氢呋喃四氢呋喃-κO]锂]双[μ-2,2',2 " -甲烷三基三(4,6-二叔丁基苯酚)-κ O,O':O',O "]-二镁酸盐的晶体结构。
Pub Date : 2017-06-13 eCollection Date: 2017-07-01 DOI: 10.1107/S2056989017008337
Hongyan Zhou, Lei Wang

The title ion-association metal complex, [Li(C4H8O)4]2[Mg2(C43H61O3)2], has been synthesized from the tridentate phenolic ligand tris-(3,5-di-tert-butyl-2-hy-droxy-phen-yl)methane in tetra-hydro-furan (THF). The aryl-oxo magnesiate complex anion is binuclear with each Mg2O4 complex unit inversion-related and bridged through the two tridentate chelating phenolate O-donors of the ligand. The complex centres have a distorted tetra-hedral stereochemistry [Mg-O range 1.8796 (17)-2.0005 (16) Å] and an Mg⋯Mg separation of 2.9430 (14) Å]. The LiO4 coodination sphere of the cation comprises four THF O-donor atoms and has a slightly distorted tetra-hedral conformation [Li-O range 1.899 (5)- 1.953 (5) Å]. In the crystal, a number of stabilizing intra-anion C-H⋯O hydrogen-bonding inter-actions are present but no inter-species associations are found.

以四氢呋喃(THF)为原料,以三-(3,5-二叔丁基-2-羟基苯基)甲烷为配体,合成了标题离子结合金属配合物[Li(c4h80)4]2[Mg2(c43h6103)2]。芳基氧化镁配合阴离子是双核的,每个Mg2O4配合物单元反转相关,并通过配体的两个三齿螯合酚酸o给体桥接。配合物中心具有扭曲的四面体立体化学[Mg- o范围为1.8796 (17)-2.0005 (16)Å]和Mg⋯Mg分离为2.9430 (14)Å]。阳离子的LiO4配位球由4个THF o给体原子组成,具有轻微畸变的四面体构象[Li-O范围1.899 (5)- 1.953 (5)Å]。在晶体中,存在许多稳定阴离子内C-H⋯O氢键相互作用,但没有发现物种间的相互作用。
{"title":"Crystal structure of bis-[tetra-kis-(tetra-hydro-furan-κ<i>O</i>)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-<i>tert</i>-butylphenolato)-κ<sup>4</sup><i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']-dimagnesiate.","authors":"Hongyan Zhou,&nbsp;Lei Wang","doi":"10.1107/S2056989017008337","DOIUrl":"https://doi.org/10.1107/S2056989017008337","url":null,"abstract":"<p><p>The title ion-association metal complex, [Li(C<sub>4</sub>H<sub>8</sub>O)<sub>4</sub>]<sub>2</sub>[Mg<sub>2</sub>(C<sub>43</sub>H<sub>61</sub>O<sub>3</sub>)<sub>2</sub>], has been synthesized from the tridentate phenolic ligand tris-(3,5-di-<i>tert</i>-butyl-2-hy-droxy-phen-yl)methane in tetra-hydro-furan (THF). The aryl-oxo magnesiate complex anion is binuclear with each Mg<sub>2</sub>O<sub>4</sub> complex unit inversion-related and bridged through the two tridentate chelating phenolate O-donors of the ligand. The complex centres have a distorted tetra-hedral stereochemistry [Mg-O range 1.8796 (17)-2.0005 (16) Å] and an Mg⋯Mg separation of 2.9430 (14) Å]. The LiO<sub>4</sub> coodination sphere of the cation comprises four THF O-donor atoms and has a slightly distorted tetra-hedral conformation [Li-O range 1.899 (5)- 1.953 (5) Å]. In the crystal, a number of stabilizing intra-anion C-H⋯O hydrogen-bonding inter-actions are present but no inter-species associations are found.</p>","PeriodicalId":7015,"journal":{"name":"Acta Crystallographica Section E Crystallographic Communications","volume":" ","pages":"1026-1028"},"PeriodicalIF":0.0,"publicationDate":"2017-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S2056989017008337","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"35290950","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
Crystal structure of the tetra-aqua-bis-(thio-cyanato-κN)cobalt(II)-caffeine-water (1/2/4) co-crystal. 四水-双-(硫氰酸-κ n)钴(II)-咖啡因-水(1/2/4)共晶的晶体结构。
Pub Date : 2017-06-07 eCollection Date: 2017-07-01 DOI: 10.1107/S2056989017008180
H El Hamdani, M El Amane, C Duhayon

In the structure of the title compound [systematic name: tetra-aqua-bis-(thio-cyanato-κN)cobalt(II)-1,3,7-trimethyl-1,2,3,6-tetra-hydro-7H-purine-2,6-dione-water (1/2/4)], [Co(NCS)2(H2O)4]·2C8H10N4O2·4H2O, the cobalt(II) cation lies on an inversion centre and is coordinated in a slightly distorted octa-hedral geometry by the oxygen atoms of four water mol-ecules and two N atoms of two trans-arranged thio-cyanate anions. In the crystal, the complex mol-ecules inter-act with the caffeine mol-ecules through O-H⋯N, O-H⋯O and C-H⋯S hydrogen bonds and π-π inter-actions [centroid-to-centroid distance = 3.4715 (5) Å], forming layers parallel to the ab plane, which are further connected into a three-dimensional network by O-H⋯O and O-H⋯S hydrogen bonds involving the non-coordinating water mol-ecules.

在标题化合物[系统名称:四水-双-(硫氰酸盐-κN)钴(II)-1,3,7-三甲基-1,2,3,6-四氢- 7h -嘌呤-2,6-二酮-水(1/2/4)],[Co(NCS)2(H2O)4]·2C8H10N4O2·4H2O]的结构中,钴(II)阳离子位于反转中心,由四个水分子的氧原子和两个反排硫氰酸盐阴离子的两个N原子配位,形成略微扭曲的八面体结构。在晶体中,复合物分子与咖啡因分子通过O- h⋯N、O- h⋯O和C-H⋯S氢键和π-π相互作用[质心到质心距离= 3.4715 (5)Å]相互作用,形成平行于ab平面的层,并通过涉及非配位水分子的O- h⋯O和O- h⋯S氢键进一步连接成三维网络。
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引用次数: 1
Crystal structure of [1,2-bis-(di-phenyl-phosphan-yl)benzene]-hepta-carbonyldi-μ-hydrido-(μ3-2,4,6-tri-methyl-phenyl-phosphin-idene)-triangulo-triruthenium. [1,2-双-(二苯基-膦基)苯]-七羰基二-μ-氢-(μ3-2,4,6-三甲基-苯基-亚膦基)-三角三钌的晶体结构。
Pub Date : 2017-06-02 eCollection Date: 2017-07-01 DOI: 10.1107/S2056989017007770
Taeko Kakizawa

The title trinuclear ruthenium cluster, [Ru3(C30H24P2)(C9H11P)(CO)7(μ-H)2], has a triangular Ru3 core that is capped with a mesitylphosphin-idene ligand, μ3-PMes (Mes = mesityl = 2,4,6-tri-methyl-phen-yl). The 1,2-bis-(di-phenyl-phosphan-yl)benzene mol-ecule acts as a bidentate phosphine ligand via two P atoms connecting to a single Ru atom. The title compound crystallizes with two independent mol-ecules in the asymmetric unit.

标题的三核钌簇[Ru3(C30H24P2)(C9H11P)(CO)7(μ-H)2]具有一个三角形的Ru3核,上面覆盖着一个甲酰基膦-二配体μ3-PMes (Mes =甲酰基= 2,4,6-三甲基苯基)。1,2-双-(二苯基-磷基)苯分子通过两个P原子连接到一个Ru原子作为双齿膦配体。标题化合物在不对称单元中与两个独立的分子结晶。
{"title":"Crystal structure of [1,2-bis-(di-phenyl-phosphan-yl)benzene]-hepta-carbonyldi-μ-hydrido-(μ<sub>3</sub>-2,4,6-tri-methyl-phenyl-phosphin-idene)-<i>triangulo</i>-triruthenium.","authors":"Taeko Kakizawa","doi":"10.1107/S2056989017007770","DOIUrl":"https://doi.org/10.1107/S2056989017007770","url":null,"abstract":"<p><p>The title trinuclear ruthenium cluster, [Ru<sub>3</sub>(C<sub>30</sub>H<sub>24</sub>P<sub>2</sub>)(C<sub>9</sub>H<sub>11</sub>P)(CO)<sub>7</sub>(μ-H)<sub>2</sub>], has a triangular Ru<sub>3</sub> core that is capped with a mesitylphosphin-idene ligand, μ<sub>3</sub>-PMes (Mes = mesityl = 2,4,6-tri-methyl-phen-yl). The 1,2-bis-(di-phenyl-phosphan-yl)benzene mol-ecule acts as a bidentate phosphine ligand <i>via</i> two P atoms connecting to a single Ru atom. The title compound crystallizes with two independent mol-ecules in the asymmetric unit.</p>","PeriodicalId":7015,"journal":{"name":"Acta Crystallographica Section E Crystallographic Communications","volume":" ","pages":"945-948"},"PeriodicalIF":0.0,"publicationDate":"2017-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S2056989017007770","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"35294559","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
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Acta Crystallographica Section E Crystallographic Communications
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