IUCrData最新文献_第5页

6-Bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine 6-Bromo-9、9-diethyl-N N-di-phenyl-fluoren-2-amine。

IUCrData Pub Date : 2024-12-01 DOI: 10.1107/S2414314624011763

Themmila Khamrang , A. Kannan , C. Ponraj , Madhukar Hemamalini , G. Jerald Maria Antony , Dhandayutham Saravanan

引用次数: 0

2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 2-Amino-5-oxo-4 - (thio-phen-2-yl) 5、6、7,8-tetra-hydro-4H-chromene-3-carbo-nitrile。

IUCrData Pub Date : 2024-11-01 DOI: 10.1107/S2414314624010496

Carren Nyapola , Sizwe J. Zamisa , Eric M. Njogu , Bernard Omondi

{"title":"2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","authors":"Carren Nyapola , Sizwe J. Zamisa , Eric M. Njogu , Bernard Omondi","doi":"10.1107/S2414314624010496","DOIUrl":"10.1107/S2414314624010496","url":null,"abstract":"<div><div>In the crystal structure of the title compound, intermolecular N—H⋯N and N—H⋯O hydrogen bonds form a two-dimensional supramolecular network along the <em>ac</em> plane, contributing to the cohesion of the crystal.</div></div><div><div>The crystal structure of the title compound, C<sub>14</sub>H<sub>12</sub>N<sub>2</sub>O<sub>2</sub>S, reveals two symmetrically independent molecules within the asymmetric unit. Each molecule contains a chromenone core attached to a 2-thiophene ring, cyano, and amino groups. The 2-thiophene ring of one of the two molecules in the asymmetric unit was found to be disordered over two positions, with the major component having a site occupancy factor of 0.837 (2). The 2-thiophene ring is nearly orthogonal to the fused 4<em>H</em>-pyran ring, with dihedral angles between the two sets of planes being 89.5 (5) and 89.63 (8)°. Intermolecular hydrogen bonding, involving N—H⋯N and N—H⋯O interactions, creates two distinct motifs leading to the formation of a two-dimensional supramolecular network along the crystallographic <em>ac</em> plane.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (355KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11618874/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142796760","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

3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-imidazol-3-ium bromide (3) - 2-Hy-droxy-eth-yl溴化1 - (4-nitro-phen-yl) 1 h-imidazol-3-ium。

IUCrData Pub Date : 2024-11-01 DOI: 10.1107/S2414314624011386

Halliru Ibrahim , Sizwe J. Zamisa , Muhammad D. Bala , Pinkie Ntola , Holger B. Friedrich

引用次数: 0

Structural insights into 1,4-bis(neopentyloxy)pillar[5]arene and the pyridine host–guest system 1,4-二-（新氧基）柱[5]芳烃和吡啶主客体体系的结构研究。

IUCrData Pub Date : 2024-11-01 DOI: 10.1107/S2414314624010733

Mickey Vinodh , Fatemeh H. Alipour , Talal F. Al-Azemi

{"title":"Structural insights into 1,4-bis(neopentyloxy)pillar[5]arene and the pyridine host–guest system","authors":"Mickey Vinodh , Fatemeh H. Alipour , Talal F. Al-Azemi","doi":"10.1107/S2414314624010733","DOIUrl":"10.1107/S2414314624010733","url":null,"abstract":"<div><div>The crystal structure of a neopentyloxypillar[5]arene with two pyridine molecules encapsulated in the macrocyclic cavity is reported.</div></div><div><div>The crystal structure of 1,4-bis(neopentyloxy)pillar[5]arene, C<sub>95</sub>H<sub>140</sub>N<sub>2</sub>O<sub>10</sub> (<strong>TbuP)</strong>, featuring two encapsulated pyridine molecules, reveals significant host–guest interactions. Interestingly, the pyridine guests are positioned near the neopentyloxy substituents instead of the electron-rich aromatic core of the pillar[5]arene. This spatial arrangement suggests a preference for the pyridine molecules to engage with the aliphatic regions of the host. Detailed analysis of the structural characteristics of this host–guest system (<strong>TbuP·2Py)</strong>, as well as its packing pattern within the crystal network, is presented and discussed.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (522KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11618873/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142796768","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

3aH,4H,5H,8H,9H,9aH-Cycloocta[d][1,3]dioxole-2-thione 3啊,4 h, 5 h, 8 h, 9 h, 9 ah-cyclo-octa - [d] [1,3] dioxole-2-thione。

IUCrData Pub Date : 2024-11-01 DOI: 10.1107/S2414314624010198

Dieter Schollmeyer , Claudia Kammler , Heiner Detert

引用次数: 0

Bis(azido-κN1)bis(2,2′-dipyridylamine-κ2N1,N1′)iron(II) monohydrate 二（叠氮-κN 1）二-（2,2'-二吡啶胺-κ2 N 1，N 1'）铁（II）一水化合物。

IUCrData Pub Date : 2024-11-01 DOI: 10.1107/S2414314624011167

Fatima Setifi , Zouaoui Setifi , Hans Reuter , Mohammad Hadi Al-Douh , Abderezak Addala

{"title":"Bis(azido-κN1)bis(2,2′-dipyridylamine-κ2N1,N1′)iron(II) monohydrate","authors":"Fatima Setifi , Zouaoui Setifi , Hans Reuter , Mohammad Hadi Al-Douh , Abderezak Addala","doi":"10.1107/S2414314624011167","DOIUrl":"10.1107/S2414314624011167","url":null,"abstract":"<div><div>Distortions of the octahedral {N<sub>6</sub>}-coordination of the Fe<sup>II</sup> ion in the title complex Fe(dpa)<sub>2</sub>(N<sub>3</sub>)<sub>2</sub> are described in terms of bond-length and angle variations alongside to the different kind of intermolecular hydrogen bonds between the azide ions and the dpa ligands of the complex and the water molecule of crystallization.</div></div><div><div>In the hydrated title complex, [Fe(dpa)<sub>2</sub>(N<sub>3</sub>)<sub>2</sub>]·H<sub>2</sub>O (dpa is 2,2′-dipyridylamine, C<sub>10</sub>H<sub>9</sub>N<sub>3</sub>), the Fe<sup>II</sup> ion is coordinated in a distorted octahedral manner by two neutral, chelating dpa ligands and two anionic, monodentate azide (N<sub>3</sub><sup>−</sup>) ions in a <em>cis</em>-configuration. Distortion results from different Fe—N bond lengths [2.1397 (13)–2.2254 (12) Å] and (N—Fe—N)<sub><em>cis</em></sub> [80.12 (4)–96.72 (5)°] and (N—Fe—N)<sub><em>trans</em></sub> [166.73 (4)–176.62 (5)°] bond angles. Hydrogen bonds exist between two symmetry-related water molecules as hydrogen donors to the γ-N atoms of azido ligands of two adjacent iron complexes and as acceptors from the amide group of the dpa ligands of two additional iron complexes. The hydrogen-bonding pattern results in eight-membered ⋯H—O—H⋯N⋯ rings and a band-like arrangement of the molecules involved. Additional, weaker hydrogen bonds between the α-N atom of the second azido ligand as acceptors and the amide groups of the second dpa ligands as donors cross-link neighboring bands to layers extending parallel to (001).<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (324KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11618867/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142796766","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

(10Z)-4H,5H,6H,7H,8H,9H-Cyclodeca[d][1,2,3]selenadiazole

IUCrData Pub Date : 2024-11-01 DOI: 10.1107/S2414314624011076

Dieter Schollmeyer , Heiner Detert

引用次数: 0

catena-Poly[[diphenyltin(IV)]-di-μ-isothiocyanato]: an unprecedented layered coordination polymer resulting from bridging κ2N:S thiocyanato ligands 链-聚[[二苯基锡（IV）]-二μ-异硫氰基]：一种前所未有的由κ2 N:S硫氰基配体桥接而成的层状配位聚合物。

IUCrData Pub Date : 2024-11-01 DOI: 10.1107/S2414314624010939

Ann-Kathrin Pancratz , Anne Kamrowski , Hans Reuter

{"title":"catena-Poly[[diphenyltin(IV)]-di-μ-isothiocyanato]: an unprecedented layered coordination polymer resulting from bridging κ2N:S thiocyanato ligands","authors":"Ann-Kathrin Pancratz , Anne Kamrowski , Hans Reuter","doi":"10.1107/S2414314624010939","DOIUrl":"10.1107/S2414314624010939","url":null,"abstract":"<div><div>Diphenyltin(IV) diisothiocyanate, Ph<sub>2</sub>Sn(NCS)<sub>2</sub>, exhibits a new kind of intermolecular association with loss of molecular individuality and formation of a two-dimensional layer structure of octahedrally coordinated tin atoms linked <em>via</em> ambidentate <em>κ</em><sup>2</sup><em>NS</em> thiocyanate ions.</div></div><div><div>In the title compound, diphenyltin(IV) diisothiocyanate, [Sn(NCS)<sub>2</sub>(C<sub>6</sub>H<sub>5</sub>)<sub>2</sub>]<sub><em>n</em></sub> or Ph<sub>2</sub>Sn(NCS)<sub>2</sub>, comparatively long tin–nitrogen and short tin–sulfur bonds prove that the ambidentate isothiocyanate ion acts as a bridge between two neighboring, octahedrally coordinated tin atoms. As a result, the molecules lose their individuality in favor of a layered coordination polymer that represents a new type of molecular interactions in the structural chemistry of diorganotin(IV) dihalides/pseudohalides. The tin atom is located on a center of inversion.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (232KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11618869/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142796758","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

2,4-Dichloro-6-{N-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol ——2,4-Di-chloro-6 N - [2 - (tri-fluoro-meth-yl) phen-yl] carboximido-yl phenol…….

IUCrData Pub Date : 2024-11-01 DOI: 10.1107/S2414314624010745

Zizipho Xantini , Alfred Muller , Koop Lammertsma

{"title":"2,4-Dichloro-6-{N-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol","authors":"Zizipho Xantini , Alfred Muller , Koop Lammertsma","doi":"10.1107/S2414314624010745","DOIUrl":"10.1107/S2414314624010745","url":null,"abstract":"<div><div>The title compound was synthesized by the condensation between trifluoromethylaniline and dichlorosalicylaldehyde by nucleophilic addition, forming a hemiaminal, followed by a dehydration to generate an imine. The compound crystallizes in an orthorhombic <em>Pbca</em> (<em>Z</em> = 8) space group with a dihedral angle of 44.70 (5)° between the two aromatic rings. In the crystal, the molecules pack together to form a zigzag pattern along the <em>c</em> axis.</div></div><div><div>The title compound, C<sub>14</sub>H<sub>8</sub>Cl<sub>2</sub>F<sub>3</sub>NO, was synthesized by the condensation between trifluoromethylaniline and dichlorosalicylaldehyde by nucleophilic addition, forming a hemiaminal, followed by a dehydration to generate an imine. The compound crystallizes in an orthorhombic <em>Pbca</em> (<em>Z</em> = 8) space group with a dihedral angle of 44.70 (5)° between the two aromatic rings. In the crystal, the molecules pack together to form a zigzag pattern along the <em>c</em> axis.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (261KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11618864/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142796759","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

4′-(2-Methoxyphenyl)-2,2′:6′,2′′-terpyridine 4 ' - (2-Meth-oxy-phen-yl) 2、2’:6 ',2”-terpyridine。

IUCrData Pub Date : 2024-11-01 DOI: 10.1107/S241431462401143X

Eric M. Njogu , David O. Juma , Sizwe J. Zamisa , Bernard Omondi , Vincent O. Nyamori

{"title":"4′-(2-Methoxyphenyl)-2,2′:6′,2′′-terpyridine","authors":"Eric M. Njogu , David O. Juma , Sizwe J. Zamisa , Bernard Omondi , Vincent O. Nyamori","doi":"10.1107/S241431462401143X","DOIUrl":"10.1107/S241431462401143X","url":null,"abstract":"<div><div>In the title compound, the dihedral angles between the central pyridine ring and the peripheral rings are 22.24 (4) and 2.38 (4)°. In the crystal, pairwise C—H⋯N hydrogen bonds form inversion dimers described by an <em>R</em><sup>2</sup><sub>2</sub>(6) graph set descriptor, which further interact through C—H⋯π and π–π interactions, creating a two-dimensional supramolecular network propagating in the <em>bc</em> plane.</div></div><div><div>In the title compound, C<sub>22</sub>H<sub>17</sub>N<sub>3</sub>O, the N atoms of the pyridine rings exhibit a typical <em>trans</em>–<em>trans</em> arrangement: the dihedral angles between the central pyridine ring and the peripheral rings are 22.24 (4) and 2.38 (4)°. In the crystal, pairwise C—H⋯N hydrogen bonds form inversion dimers described by an <em>R</em><sup>2</sup><sub>2</sub>(6) graph set descriptor, which further interact through C—H⋯π and π–π interactions, creating a two-dimensional supramolecular network propagating in the <em>bc</em> plane.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (260KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11618872/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142796764","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