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5-Bromo-2-(phenyl­amino)­benzoic acid 5-溴-2-(苯基氨基)苯甲酸
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624001986
Liping Kang , Sihui Long , W. T. A. Harrison (Editor)

The mol­ecules of the title compound pair up to form carb­oxy­lic acid–carb­oxy­lic acid homodimers in the crystal structure.

The title compound, C13H10BrNO2, was obtained by the reaction of 2,5-di­bromo­benzoic acid and aniline. The mol­ecule is twisted with a dihedral angle between the aromatic rings of 45.74 (11)° and an intr­amolecular N—H⋯O hydrogen bond is seen. In the crystal, pairwise O—H⋯O hydrogen bonds generate carb­oxy­lic acid inversion dimers.

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标题化合物 C13H10BrNO2 是由 2,5-二溴苯甲酸和苯胺反应得到的。分子呈扭曲状,芳香环之间的二面角为 45.74 (11)°,并出现分子内 N-H...O 氢键。在晶体中,成对的 O-H...O 氢键产生羧酸反转二聚体。
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引用次数: 0
2-Ferrocenyl-2-[(2-ferrocenylethen­yl)(morpholin-4-yl)meth­yl]-1,3-di­thiol­ane 2-二茂铁基-2-[(2-二茂铁基乙烯基)(吗啉-4-基)甲基]-1,3-二硫环戊烷
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624002347
Claudia Oliva-Colunga , Jessica J. Sánchez García , Marcos Flores-Alamo , Elena I. Klimova , E. R. T. Tiekink (Editor)

The structure of 2-ferrocenyl-2-[(2-ferrocenylethen­yl)(morpholin-4-yl)meth­yl]-1,3-di­thiol­ane, is described. In the crystal, cyclo­penta­dienyl-C—H⋯O(morpholin­yl) inter­actions feature within helical chains parallel to the c-axis direction. The chains are connected by methyl­ene- and cyclo­penta­dienyl-C—H⋯O(cyclo­penta­dien­yl) inter­actions.

The mol­ecular structure of 2-ferrocenyl-2-[(2-ferrocenylethen­yl)(morpholin-4-yl)meth­yl]-1,3-di­thiol­ane, [Fe2(C5H5)2(C19H21NOS2)] or C29H31Fe2NOS2, has the ferrocenyl fragments in a trans disposition with respect to the vinyl group. One of the methyl­ene groups is disordered over two sites with occupancies of 0.782 (13):0.218 (13). In the crystal, cyclo­penta­dienyl-C—H⋯O(morpholin­yl) inter­actions feature within helical chains parallel to the c-axis direction. The chains are connected by methyl­ene- and cyclo­penta­dienyl-C—H⋯O(cyclo­penta­dien­yl) inter­actions.

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2-ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane, [Fe2(C5H5)2(C19H21NOS2)] 或 C29H31Fe2NOS2 的分子结构中,二茂铁基片段与乙烯基呈反式排列。其中一个亚甲基杂乱地分布在两个位点上,占据率分别为 0.782 (13):0.218 (13)。在晶体中,环戊二烯基-C-H...O(吗啉基)相互作用在平行于 c 轴方向的螺旋链上。这些链通过亚甲基和环戊二烯基-C-H...O(环戊二烯基)相互作用连接起来。
{"title":"2-Ferrocenyl-2-[(2-ferrocenylethen­yl)(morpholin-4-yl)meth­yl]-1,3-di­thiol­ane","authors":"Claudia Oliva-Colunga ,&nbsp;Jessica J. Sánchez García ,&nbsp;Marcos Flores-Alamo ,&nbsp;Elena I. Klimova ,&nbsp;E. R. T. Tiekink (Editor)","doi":"10.1107/S2414314624002347","DOIUrl":"10.1107/S2414314624002347","url":null,"abstract":"<div><p>The structure of 2-ferrocenyl-2-[(2-ferrocenylethen­yl)(morpholin-4-yl)meth­yl]-1,3-di­thiol­ane, is described. In the crystal, cyclo­penta­dienyl-C—H⋯O(morpholin­yl) inter­actions feature within helical chains parallel to the <em>c</em>-axis direction. The chains are connected by methyl­ene- and cyclo­penta­dienyl-C—H⋯O(cyclo­penta­dien­yl) inter­actions.</p></div><div><p>The mol­ecular structure of 2-ferrocenyl-2-[(2-ferrocenylethen­yl)(morpholin-4-yl)meth­yl]-1,3-di­thiol­ane, [Fe<sub>2</sub>(C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(C<sub>19</sub>H<sub>21</sub>NOS<sub>2</sub>)] or C<sub>29</sub>H<sub>31</sub>Fe<sub>2</sub>NOS<sub>2</sub>, has the ferrocenyl fragments in a <em>trans</em> disposition with respect to the vinyl group. One of the methyl­ene groups is disordered over two sites with occupancies of 0.782 (13):0.218 (13). In the crystal, cyclo­penta­dienyl-C—H⋯O(morpholin­yl) inter­actions feature within helical chains parallel to the <em>c</em>-axis direction. The chains are connected by methyl­ene- and cyclo­penta­dienyl-C—H⋯O(cyclo­penta­dien­yl) inter­actions. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (323KB)</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":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140223256","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[(μ-2,3-diethyl-7,8-di­methyl­quinoxaline-κ2 N:N)(2,3-diethyl-7,8-di­methyl­quinoxaline-κN)-μ-nitrato-κ2 O:O′-nitrato-κ2 O,O′-disilver(I)] 聚[(μ-2,3-二乙基-7,8-二甲基喹喔啉-κ2 N:N)(2,3-二乙基-7,8-二甲基喹喔啉-κN)-μ-硝基-κ2 O:O′-硝基-κ2 O,O′-二银(I)]
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624002475
Guy Crundwell , Ashley Leeds , M. Zeller (Editor)

The structure of the title compound, [Ag2(NO3)2(C14H18N2)2]n, contains subtle differences in ligand, metal, and counter-anion coordination. One quinoxaline ligand uses one of its quinoxaline N atoms to bond to one silver cation. That silver cation is bound to a second quinoxaline which, in turn, is bound to a second silver atom, thereby using both of its quinoxaline N atoms. A nitrate group bonds with one of its O atoms to the first silver and uses the same oxygen to bond to a silver atom (related by symmetry to the second), thereby forming an extended network. The second nitrate group on the other silver bonds via two nitrate O atoms; one silver cation therefore has a coordination number of three whereas the second has a coordination number of four.

The structure of the title compound, [C14H18N2)2Ag2](NO3)2, contains subtle differences in ligand, metal, and counter-anion coordination. One quinoxaline ligand uses one of its quinoxaline N atoms to bond to one silver cation. That silver cation is bound to a second quinoxaline which, in turn, is bound to a second silver atom; thereby using both of its quinoxaline N atoms. A nitrate group bonds with one of its O atoms to the first silver and uses the same oxygen to bond to a silver atom (related by symmetry to the second), thereby forming an extended network. The second nitrate group on the other silver bonds via two nitrate O atoms; one silver cation therefore has a coordination number of three whereas the second has a coordination number of four. One of the quinoxaline ligands has a disordered ethyl group.

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标题化合物[C14H18N2)2Ag2](NO3)2 的结构包含配体、金属和反离子配位的微妙差异。一个喹喔啉配体利用其中一个喹喔啉 N 原子与一个银阳离子结合。该银阳离子与第二个喹喔啉配体结合,而第二个喹喔啉配体又与第二个银原子结合,从而使用了两个喹喔啉 N 原子。硝酸基团用其一个 O 原子与第一个银原子结合,并用同一个氧原子与一个银原子(与第二个银原子对称)结合,从而形成一个扩展网络。另一个银上的第二个硝酸基团通过两个硝酸 O 原子结合;因此一个银阳离子的配位数为 3,而第二个银阳离子的配位数为 4。其中一个喹喔啉配体带有一个无序的乙基。
{"title":"Poly[(μ-2,3-diethyl-7,8-di­methyl­quinoxaline-κ2 N:N)(2,3-diethyl-7,8-di­methyl­quinoxaline-κN)-μ-nitrato-κ2 O:O′-nitrato-κ2 O,O′-disilver(I)]","authors":"Guy Crundwell ,&nbsp;Ashley Leeds ,&nbsp;M. Zeller (Editor)","doi":"10.1107/S2414314624002475","DOIUrl":"10.1107/S2414314624002475","url":null,"abstract":"<div><p>The structure of the title compound, [Ag<sub>2</sub>(NO<sub>3</sub>)<sub>2</sub>(C<sub>14</sub>H<sub>18</sub>N<sub>2</sub>)<sub>2</sub>]<sub>\u0000n\u0000</sub>, contains subtle differences in ligand, metal, and counter-anion coordination. One quinoxaline ligand uses one of its quinoxaline N atoms to bond to one silver cation. That silver cation is bound to a second quinoxaline which, in turn, is bound to a second silver atom, thereby using both of its quinoxaline N atoms. A nitrate group bonds with one of its O atoms to the first silver and uses the same oxygen to bond to a silver atom (related by symmetry to the second), thereby forming an extended network. The second nitrate group on the other silver bonds <em>via</em> two nitrate O atoms; one silver cation therefore has a coordination number of three whereas the second has a coordination number of four.</p></div><div><p>The structure of the title compound, [C<sub>14</sub>H<sub>18</sub>N<sub>2</sub>)<sub>2</sub>Ag<sub>2</sub>](NO<sub>3</sub>)<sub>2</sub>, contains subtle differences in ligand, metal, and counter-anion coordination. One quinoxaline ligand uses one of its quinoxaline N atoms to bond to one silver cation. That silver cation is bound to a second quinoxaline which, in turn, is bound to a second silver atom; thereby using both of its quinoxaline N atoms. A nitrate group bonds with one of its O atoms to the first silver and uses the same oxygen to bond to a silver atom (related by symmetry to the second), thereby forming an extended network. The second nitrate group on the other silver bonds <em>via</em> two nitrate O atoms; one silver cation therefore has a coordination number of three whereas the second has a coordination number of four. One of the quinoxaline ligands has a disordered ethyl group. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (241KB)</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":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140221484","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-octyl 3-(2-methyl­propyl­idene)di­thio­carb­az­ato-κ2 N 3,S]nickel(II) 双[S-辛基 3-(2-甲基亚丙基)二硫代卡巴唑-κ2 N 3 S]镍(II)
Pub Date : 2024-03-01 DOI: 10.1107/S241431462400186X
Sultana Shakila Khan , Md. Belayet Hossain Howlader , Md. Chanmiya Sheikh , Ryuta Miyatake , Ennio Zangrando , M. Weil (Editor)

The bis-chelated mononuclear nickel(II) complex shows inversion symmetry, with the di­thio­carbazato ligand in the usual trans configuration and the central metal cation in a square-planar coordination environment.

The central NiII atom in the title complex, [Ni(C13H25N2S2)2], is located on an inversion center and adopts a roughly square-planar coordination environment defined by two chelating N,S donor sets of two symmetry-related ligands in a trans configuration. The Ni—N and Ni—S bond lenghts are 1.9193 (14) and 2.1788 (5) Å, respectively, with a chelating N—Ni—S bond angle of 86.05 (4)°. These data are compared with those measured for similar di­thio­carbazato ligands that bear n-octyl or n-hexyl alkyl chains. Slight differences are observed with respect to the phenyl­ethyl­idene derivative where the ligands are bound cis relative to one another.

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标题复合物[Ni(C13H25N2S2)2]中的中心 NiII 原子位于一个反转中心上,并采用了由两个对称相关配体的两个螯合 N、S 供体组以反式构型定义的大致正方形平面配位环境。Ni-N 和 Ni-S 键长分别为 1.9193 (14) Å 和 2.1788 (5) Å,螯合 N-Ni-S 键角为 86.05 (4)°。这些数据与带有正辛基或正己基烷基链的类似二硫代咔唑配体的数据进行了比较。与苯基亚乙基衍生物相比,配体之间的顺式结合略有不同。
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引用次数: 0
{N-[1-(2-Oxidophen­yl)ethyl­idene]-dl-alaninato}(pentane-1,5-di­yl)silicon(IV) {N-[1-(2-氧代苯基)亚乙基]-DL-丙氨酸}(戊烷-1,5-二基)硅(IV)
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624002281
Uwe Böhme , Sabine Fels , E. R. T. Tiekink (Editor)

The coordination geometry of the penta­coordinated SiIV atom in the title complex is a distorted trigonal bipyramid.

The title SiIV complex, C16H21NO3Si, is built up by a tridentate dinegative Schiff base ligand bound to a sila­cyclo­hexane unit. The coordination geometry of the penta­coordinated SiIV atom is a distorted trigonal bipyramid. The presence of the sila­cyclo­hexane ring in the complex leads to an unusual coordination geometry of the SiIV atom with the N atom from the Schiff base ligand and an alkyl-C atom in apical positions of the trigonal bipyramid. There is a disorder of the methyl group at the imine bond with two orientations resolved for the H atoms [major orientation = 0.55 (3)]. In the crystal, C—H⋯O inter­actions are found within corrugated layers of mol­ecules parallel to the ab plane.

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标题中的 SiIV 复合物 C16H21NO3Si 是由一个与硅环己烷单元结合的三叉二阴希夫碱配体构成的。五配位的 SiIV 原子的配位几何形状是一个扭曲的三叉二棱锥。配合物中硅环己烷环的存在导致 SiIV 原子与希夫碱配体的 N 原子和烷基-C 原子的配位几何形状不同寻常,位于三叉二棱锥的顶端位置。在亚胺键处的甲基出现了紊乱,H 原子有两种取向[主要取向 = 0.55 (3)]。在晶体中,C-H...O 相互作用存在于平行于 ab 平面的波纹状分子层中。
{"title":"{N-[1-(2-Oxidophen­yl)ethyl­idene]-dl-alaninato}(pentane-1,5-di­yl)silicon(IV)","authors":"Uwe Böhme ,&nbsp;Sabine Fels ,&nbsp;E. R. T. Tiekink (Editor)","doi":"10.1107/S2414314624002281","DOIUrl":"10.1107/S2414314624002281","url":null,"abstract":"<div><p>The coordination geometry of the penta­coordinated Si<sup>IV</sup> atom in the title complex is a distorted trigonal bipyramid.</p></div><div><p>The title Si<sup>IV</sup> complex, C<sub>16</sub>H<sub>21</sub>NO<sub>3</sub>Si, is built up by a tridentate dinegative Schiff base ligand bound to a sila­cyclo­hexane unit. The coordination geometry of the penta­coordinated Si<sup>IV</sup> atom is a distorted trigonal bipyramid. The presence of the sila­cyclo­hexane ring in the complex leads to an unusual coordination geometry of the Si<sup>IV</sup> atom with the N atom from the Schiff base ligand and an alkyl-C atom in apical positions of the trigonal bipyramid. There is a disorder of the methyl group at the imine bond with two orientations resolved for the H atoms [major orientation = 0.55 (3)]. In the crystal, C—H⋯O inter­actions are found within corrugated layers of mol­ecules parallel to the <em>ab</em> plane. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (282KB)</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":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140229088","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
10-Bromo-N,N-di­phenyl­anthracen-9-amine 10-溴-N,N-二苯基蒽-9-胺
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624002074
K. Sureshkumar , Themmila Khamrang , Madhukar Hemamalini , Dhandayutham Saravanan , G. Jerald Maria Antony , W. T. A. Harrison (Editor)

There are no significant π–π or C—H⋯π inter­actions in the extended structure of the title compound.

In the title compound, C26H18BrN, the dihedral angles between the anthracene ring system and the phenyl rings are 89.51 (14) and 74.03 (15)°. In the extended structure, a weak C—H⋯Br inter­action occurs, which generates [100] chains, but no significant π–π or C—H⋯π inter­actions are observed.

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在标题化合物 C26H18BrN 中,蒽环系统和苯基环之间的二面角分别为 89.51 (14) 和 74.03 (15)°。在扩展结构中,发生了微弱的 C-H...Br相互作用,产生了 [100] 链,但没有观察到明显的 π-π 或 C-H...π 相互作用。
{"title":"10-Bromo-N,N-di­phenyl­anthracen-9-amine","authors":"K. Sureshkumar ,&nbsp;Themmila Khamrang ,&nbsp;Madhukar Hemamalini ,&nbsp;Dhandayutham Saravanan ,&nbsp;G. Jerald Maria Antony ,&nbsp;W. T. A. Harrison (Editor)","doi":"10.1107/S2414314624002074","DOIUrl":"10.1107/S2414314624002074","url":null,"abstract":"<div><p>There are no significant π–π or C—H⋯π inter­actions in the extended structure of the title compound.</p></div><div><p>In the title compound, C<sub>26</sub>H<sub>18</sub>BrN, the dihedral angles between the anthracene ring system and the phenyl rings are 89.51 (14) and 74.03 (15)°. In the extended structure, a weak C—H⋯Br inter­action occurs, which generates [100] chains, but no significant π–π or C—H⋯π inter­actions are observed. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (278KB)</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":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140248858","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 : 2024-02-13 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。
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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。
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引用次数: 0
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