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trans-Bis(quinoline-8-amine-κ2N,N′)bis­(1,1,3,3-tetra­cyano-2-meth­oxy­propenido-κN)iron(II) trans-Bis (quinoline-8-amine -κ2 N, N’)双(1,1,3,3-tetra-cyano-2-meth-oxy-propenido -κN)铁(II)。
IUCrData Pub Date : 2024-12-01 DOI: 10.1107/S2414314624012197
Fatima Setifi , Zouaoui Setifi , Uwe Böhme , Mohammad Hadi Al-Douh , Achouak Satour
{"title":"trans-Bis(quinoline-8-amine-κ2N,N′)bis­(1,1,3,3-tetra­cyano-2-meth­oxy­propenido-κN)iron(II)","authors":"Fatima Setifi ,&nbsp;Zouaoui Setifi ,&nbsp;Uwe Böhme ,&nbsp;Mohammad Hadi Al-Douh ,&nbsp;Achouak Satour","doi":"10.1107/S2414314624012197","DOIUrl":"10.1107/S2414314624012197","url":null,"abstract":"<div><div>[Fe(C<sub>8</sub>H<sub>3</sub>N<sub>4</sub>O)<sub>2</sub>(C<sub>9</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>] exhibits a distorted octa­hedral coordination geometry. The coordination sphere of the iron(II) ion is composed of bidentate quinoline-8-amine in the equatorial sites while the axial sites are occupied by 1,1,3,3-tetra­cyano-2-meth­oxy­propenide anions.</div></div><div><div>The title compound, [Fe(C<sub>8</sub>H<sub>3</sub>N<sub>4</sub>O)<sub>2</sub>(C<sub>9</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>], was synthesized solvothermally. The complex exhibits a distorted octa­hedral coordination geometry. The Fe<sup>2+</sup> ion is located on an inversion centre. The octa­hedral FeN<sub>6</sub> coordination sphere is composed of bidentate quinoline-8-amine in the equatorial sites while the axial sites are occupied by 1,1,3,3-tetra­cyano-2-meth­oxy­propenide anions. The crystal structure features hydrogen bonds parallel to the crystallographic <em>b</em> axis and parallel to (110).<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (273KB)</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 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701756/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142960914","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-[(2-Chloro­phen­yl)di­phenyl­meth­yl]-1H-pyrazole 1 - [(2-Chloro-phen-yl) di-phenyl-meth-yl] 1 h-pyrazole。
IUCrData Pub Date : 2024-12-01 DOI: 10.1107/S2414314624011520
Pierre Koch , Dieter Schollmeyer
{"title":"1-[(2-Chloro­phen­yl)di­phenyl­meth­yl]-1H-pyrazole","authors":"Pierre Koch ,&nbsp;Dieter Schollmeyer","doi":"10.1107/S2414314624011520","DOIUrl":"10.1107/S2414314624011520","url":null,"abstract":"<div><div>The title compound C<sub>22</sub>H<sub>17</sub>ClN<sub>2</sub>, also named as TRAM-34, crystallizes in the monoclinic space group <em>P</em>2<sub>1</sub>/n. The dihedral angles between the pyrazole ring and the three six-membered rings are 62.28 (9), 69.48 (9) and 71.30 (9)°.</div></div><div><div>The title compound C<sub>22</sub>H<sub>17</sub>ClN<sub>2</sub>, also named as TRAM-34, crystallizes in the monoclinic space group <em>P</em>2<sub>1</sub>/n. The dihedral angles between the pyrazole ring and the three six-membered rings are 62.28 (9), 69.48 (9) and 71.30 (9)°.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (282KB)</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 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701755/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142960934","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
Sn(SO4)2·2H2O from synchrotron powder data 同步加速器粉末数据中的Sn(SO4)2·2H2O。
IUCrData Pub Date : 2024-12-01 DOI: 10.1107/S2414314624011799
Øystein Slagtern Fjellvåg , Helmer Fjellvåg
{"title":"Sn(SO4)2·2H2O from synchrotron powder data","authors":"Øystein Slagtern Fjellvåg ,&nbsp;Helmer Fjellvåg","doi":"10.1107/S2414314624011799","DOIUrl":"10.1107/S2414314624011799","url":null,"abstract":"<div><div>Tin(IV) sulfate dihydrate comprises of (100) layers of [SnO<sub>4</sub>(H<sub>2</sub>O)<sub>2</sub>] octa­hedra corner-connected by sulfate tetra­hedra, and with O—H⋯O hydrogen-bonding between the layers.</div></div><div><div>Tin(IV) sulfate dihydrate, Sn(SO<sub>4</sub>)<sub>2</sub>·2H<sub>2</sub>O, was prepared in a reflux of sulfuric acid under oxidizing conditions. Its crystal structure was determined from powder synchrotron X-ray diffraction data and is constructed of (100) layers of [SnO<sub>4</sub>(H<sub>2</sub>O)<sub>2</sub>] octa­hedra (point group symmetry 1) corner-connected by sulfate tetra­hedra. Hydrogen bonds of moderate strength between the water mol­ecules and sulfate O atoms hold the layers together.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (202KB)</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 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701753/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142961012","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-benzo[d]imidazol-3-ium bromide 3 (2-Hy-droxy-eth-yl)达到华(4-nitro-phen-yl) [d] -1H-benzo imidazol-3-ium bromide .
IUCrData Pub Date : 2024-12-01 DOI: 10.1107/S2414314624011684
Halliru Ibrahim , Sizwe J. Zamisa , Muhammad D. Bala , Pinkie Ntola , Holger B. Friedrich
{"title":"3-(2-Hy­droxy­eth­yl)-1-(4-nitro­phen­yl)-1H-benzo[d]imidazol-3-ium bromide","authors":"Halliru Ibrahim ,&nbsp;Sizwe J. Zamisa ,&nbsp;Muhammad D. Bala ,&nbsp;Pinkie Ntola ,&nbsp;Holger B. Friedrich","doi":"10.1107/S2414314624011684","DOIUrl":"10.1107/S2414314624011684","url":null,"abstract":"<div><div>In the crystal of the title salt, the bromide ions act as double acceptors for hydrogen bonds from a hydroxyl group (O—H⋯Br) and a fused imidazolium moiety (C—H⋯Br). Additionally, C—H⋯O hydrogen bonds between the phenyl group and hydroxyl oxygen atom create a two-dimensional supra­molecular network extending diagonally in the crystallographic <em>bc</em> plane.</div></div><div><div>The cation of the title salt, C<sub>15</sub>H<sub>14</sub>N<sub>3</sub>O<sub>3</sub><sup>+</sup>·Br<sup>−</sup>, has a dihedral angle of 24.26 (6)° between its fused imidazole and 4-nitro­phenyl rings and the N—C—C—O torsion angle associated with the hy­droxy­ethyl substituent is 60.15 (17)°. In the crystal, the bromide ions act as double acceptors for hydrogen bonds from a hydroxyl group (O—H⋯Br) and a fused imidazolium moiety (C—H⋯Br). Additionally, C—H⋯O hydrogen bonds between the phenyl group and hydroxyl oxygen atom create a two-dimensional supra­molecular network extending diagonally in the crystallographic <em>bc</em> plane.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (201KB)</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 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701757/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142960937","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
Ethyl 4-[(2-hy­droxy­eth­yl)amino]-2-(4-meth­oxyphen­yl)-1-methyl-5-oxo-2,5-di­hydro-1H-pyrrole-3-carboxyl­ate ((2-hy-droxy-eth-yl)氨基)乙基4 - 2 - (4-meth-oxyphen-yl) 1-methyl-5-oxo-2 5-di-hydro-1H-pyrrole-3-carboxyl-ate。
IUCrData Pub Date : 2024-12-01 DOI: 10.1107/S2414314624012227
Fatin Nur Ain Abdul Rashid , Mohd Fazli Mohammat , Mohd Abdul Fatah Abdul Manan , Ayisy Amirul Afti Bakhtiar Afendy , David B. Cordes , Aidan P. McKay
{"title":"Ethyl 4-[(2-hy­droxy­eth­yl)amino]-2-(4-meth­oxyphen­yl)-1-methyl-5-oxo-2,5-di­hydro-1H-pyrrole-3-carboxyl­ate","authors":"Fatin Nur Ain Abdul Rashid ,&nbsp;Mohd Fazli Mohammat ,&nbsp;Mohd Abdul Fatah Abdul Manan ,&nbsp;Ayisy Amirul Afti Bakhtiar Afendy ,&nbsp;David B. Cordes ,&nbsp;Aidan P. McKay","doi":"10.1107/S2414314624012227","DOIUrl":"10.1107/S2414314624012227","url":null,"abstract":"<div><div>In the title compound, the pyrrolidine and phenyl rings are almost perpendicular and an intra­molecular N—H⋯O hydrogen bond occurs.</div></div><div><div>In the title compound, C<sub>17</sub>H<sub>22</sub>N<sub>2</sub>O<sub>5</sub> the pyrrolidine ring is almost planar and subtends a dihedral angle of 85.77 (7)° with the pendant phenyl ring. An intra­molecular N—H⋯O hydrogen bond generates an <em>S</em>(6) loop. In the crystal, the compound forms inversion dimers through O—H⋯O hydrogen bonds from the disordered hydroxyl group to either the hydroxyl or ester carbonyl O atom of the adjacent mol­ecule.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (223KB)</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 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701760/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142960953","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[di­aqua­[μ2-1,4-bis­(pyridin-3-ylmeth­yl)piperazine][μ2-4-(2-carboxyl­atoeth­yl)benzoato]cobalt(II)] 保利(di-aqua -[2 - 1μ,4-bis (pyridin-3-ylmeth-yl)哌嗪][μ2 - 4 - (2-carboxyl-atoeth-yl) benzoato]钴(II)]。
IUCrData Pub Date : 2024-12-01 DOI: 10.1107/S2414314624012252
Frederick C. Ezenyilimba , Robert L. LaDuca
{"title":"Poly[di­aqua­[μ2-1,4-bis­(pyridin-3-ylmeth­yl)piperazine][μ2-4-(2-carboxyl­atoeth­yl)benzoato]cobalt(II)]","authors":"Frederick C. Ezenyilimba ,&nbsp;Robert L. LaDuca","doi":"10.1107/S2414314624012252","DOIUrl":"10.1107/S2414314624012252","url":null,"abstract":"<div><div>A layered cobalt coordination polymer containing both 4-(2-carboxyl­atoeth­yl)benzoate (ceb) and <em>N</em>,<em>N</em>′-bis­(3-pyridyl­meth­yl)piperazine (3-bpmp) ligands, [Co(ceb)(3-bpmp)(H<sub>2</sub>O)<sub>2</sub>]<sub><em>n</em></sub>, was isolated and structurally characterized by single-crystal X-ray diffraction.</div></div><div><div>A layered cobalt coordination polymer containing both 4-(2-carboxyl­atoeth­yl)benzoate (ceb) and 1,4-bis­(3-pyridyl­meth­yl)piperazine (3-bpmp) ligands, [Co(C<sub>10</sub>H<sub>8</sub>O<sub>4</sub>)(C<sub>16</sub>H<sub>20</sub>N<sub>4</sub>)(H<sub>2</sub>O)<sub>2</sub>]<sub><em>n</em></sub> or [Co(ceb)(3-bpmp)(H<sub>2</sub>O)<sub>2</sub>]<sub><em>n</em></sub>, was isolated and structurally characterized by single-crystal X-ray diffraction. Chain-like [Co(ceb)(H<sub>2</sub>O)<sub>2</sub>]<sub><em>n</em></sub> units are oriented parallel to [101]. These are connected into (4,4)-grid coordination polymer layers by tethering 3-bpmp ligands. The layer motifs stack in an <em>AAA</em> pattern mediated by O—H⋯N hydrogen-bonding inter­actions between the aqua ligands in one layer and 3-bpmp piperazinyl N atoms in the abutting layer.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (293KB)</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 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701761/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142960997","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-Iodo­aniline 3-Iodo-aniline。
IUCrData Pub Date : 2024-12-01 DOI: 10.1107/S2414314624012264
Ferhan Slamang , Eric Cyriel Hosten , Richard Betz
{"title":"3-Iodo­aniline","authors":"Ferhan Slamang ,&nbsp;Eric Cyriel Hosten ,&nbsp;Richard Betz","doi":"10.1107/S2414314624012264","DOIUrl":"10.1107/S2414314624012264","url":null,"abstract":"<div><div>The asymmetric unit of the title compound, the <em>meta</em>-iodinated derivative of aniline, contains two complete mol­ecules. In the crystal, cooperative hydrogen bonds of the N–H⋯N type connect the mol­ecules into infinite chains along the <em>a-</em>axis direction. Dispersive I⋯I contacts extend these chains to sheets perpendicular to the crystallographic <em>c</em> axis.</div></div><div><div>The title compound, C<sub>6</sub>H<sub>6</sub>IN, is the <em>meta</em>-iodinated derivative of aniline. The asymmetric unit contains two mol­ecules. The structure was refined as a two-component inversion twin with a volume ratio of 55.6:44.4. In the crystal, cooperative hydrogen bonds of the N–H⋯N type connect the mol­ecules into infinite chains propagating along the <em>a-</em>axis direction. Dispersive I⋯I contacts extend these chains to sheets perpendicular to the crystallographic <em>c</em> axis.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (161KB)</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 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701754/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142960939","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
rac-2-{3-[1-(Acet­yloxy)eth­yl]-2,2-di­methyl­cyclobut­yl}acetic acid rac-2 - {3 - (1 - (Acet-yloxy) eth-yl) 2, 2-di-methyl-cyclobut-yl}醋酸。
IUCrData Pub Date : 2024-12-01 DOI: 10.1107/S2414314624011441
Dieter Schollmeyer , Paul Jirsch , Heiner Detert
{"title":"rac-2-{3-[1-(Acet­yloxy)eth­yl]-2,2-di­methyl­cyclobut­yl}acetic acid","authors":"Dieter Schollmeyer ,&nbsp;Paul Jirsch ,&nbsp;Heiner Detert","doi":"10.1107/S2414314624011441","DOIUrl":"10.1107/S2414314624011441","url":null,"abstract":"<div><div>The title compound was prepared from α-pinene in three steps. The ester and acid moieties are <em>cis</em> on the slightly folded cyclo­butane ring. In the crystal, carb­oxy­lic acid bound dimers form layers parallel to (202).</div></div><div><div>The title compound, C<sub>12</sub>H<sub>20</sub>O<sub>4</sub>, was prepared from α-pinene in three steps. The ester and acid moieties are <em>cis</em> on the slightly folded cyclo­butane ring. In the crystal, carb­oxy­lic acid bound dimers form layers parallel to (202).<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (180KB)</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 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701758/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142960913","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
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
{"title":"6-Bromo-9,9-diethyl-N,N-di­phenyl­fluoren-2-amine","authors":"Themmila Khamrang ,&nbsp;A. Kannan ,&nbsp;C. Ponraj ,&nbsp;Madhukar Hemamalini ,&nbsp;G. Jerald Maria Antony ,&nbsp;Dhandayutham Saravanan","doi":"10.1107/S2414314624011763","DOIUrl":"10.1107/S2414314624011763","url":null,"abstract":"<div><div>In the title compound, the dihedral angles between the fluorene fused-ring system and the pendant phenyl groups are 67.76 (12) and 88.38 (12)°. In the crystal, weak pairwise C—H⋯π inter­actions link the mol­ecules into inversion dimers.</div></div><div><div>In the title compound, C<sub>29</sub>H<sub>26</sub>BrN, the dihedral angles between the fluorene fused-ring system and the pendant phenyl groups are 67.76 (12) and 88.38 (12)°. In the crystal, weak pairwise C—H⋯π inter­actions link the mol­ecules into inversion dimers.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (217KB)</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 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701759/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142960941","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
{"title":"3-(2-Hy­droxy­eth­yl)-1-(4-nitro­phen­yl)-1H-imidazol-3-ium bromide","authors":"Halliru Ibrahim ,&nbsp;Sizwe J. Zamisa ,&nbsp;Muhammad D. Bala ,&nbsp;Pinkie Ntola ,&nbsp;Holger B. Friedrich","doi":"10.1107/S2414314624011386","DOIUrl":"10.1107/S2414314624011386","url":null,"abstract":"<div><div>The crystal structure of an imidazolium bromide salt is described.</div></div><div><div>The mol­ecular structure of the title salt, C<sub>11</sub>H<sub>12</sub>N<sub>3</sub>O<sub>3</sub><sup>+</sup>·Br<sup>−</sup>, reveals near co-planarity between the the imidazole and 4-nitro­benzene moieties with a dihedral angle of 8.99 (14)° between their planes. A prominent feature in the mol­ecular packing is the bromide anion acting as a double acceptor for O—H⋯Br and C—H⋯Br hydrogen-bonds, leading to a linear chain propagating along [110]. The crystal studied was refined as an inversion twin, with the minor component = 0.081 (8).<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (192KB)</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/PMC11618875/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142796761","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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