IUCrData最新文献_第3页

Bis(l-leucinium) hexachloridostannate(IV) dihydrate 二水合六氯锡酸双（l-leucinium）。

IUCrData Pub Date : 2025-08-01 DOI: 10.1107/S2414314625006765

Rochdi Ghallab , Amina Kemmouche , Mehdi Boutebdja , Stéphane Golhen

{"title":"Bis(l-leucinium) hexachloridostannate(IV) dihydrate","authors":"Rochdi Ghallab , Amina Kemmouche , Mehdi Boutebdja , Stéphane Golhen","doi":"10.1107/S2414314625006765","DOIUrl":"10.1107/S2414314625006765","url":null,"abstract":"<div><div>The <span>l</span>-leucinium cations in the title compound adopt extended conformations that maximize the separation between the methyl groups [–CH(CH<sub>3</sub>)<sub>2</sub>] and the polar NH<sub>3</sub><sup>+</sup> and COOH groups.</div></div><div><div>The title compound, (C<sub>6</sub>H<sub>14</sub>NO<sub>2</sub>)<sub>2</sub>[SnCl<sub>6</sub>]·2H<sub>2</sub>O, features <span>l</span>-leucinium cations adopting extended conformations, which maximizes the separation between the methyl groups [–CH(CH<sub>3</sub>)<sub>2</sub>] and the polar NH<sub>3</sub><sup>+</sup> and COOH moieties. Additionally, an intramolecular hydrogen bond between the ammonium (NH<sub>3</sub><sup>+</sup>) group and the carboxyl group induces a slight reduction in the C—C—N bond angles, with an average value of 106.5°, compared to the ideal tetrahedral angle of 109.5°. The NH<sub>3</sub><sup>+</sup> group is nearly coplanar with the C—C—C—C carbon chain in both fragments, whereas the carboxyl (COOH) group and the methyl group at the C5 position deviate significantly from this plane. The octahedral complex anion is close to regular. In the crystal, an extensive network of hydrogen bonds links the components into a three-dimensional network.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (240KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145017089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

10-(4-Fluorophenyl)-4-[(4-fluorophenyl)amino]-5-phenyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one (10) - 4-Fluoro-phen-yl 4 - [(4-Fluoro-phen-yl)氨基]5-phenyl-5, 8, 9, 10-tetra-hydro-pyrimido(4、5 b) quin-olin-6——(7 h)。

IUCrData Pub Date : 2025-08-01 DOI: 10.1107/S2414314625007047

Sizwe J. Zamisa , Adesola A. Adeleke , Bernard Omondi

{"title":"10-(4-Fluorophenyl)-4-[(4-fluorophenyl)amino]-5-phenyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","authors":"Sizwe J. Zamisa , Adesola A. Adeleke , Bernard Omondi","doi":"10.1107/S2414314625007047","DOIUrl":"10.1107/S2414314625007047","url":null,"abstract":"<div><div>The title compound forms a crystal structure with near-coplanar heteroaryl units and perpendicular aromatic rings, assembling into a corrugated two-dimensional network along the crystallographic <em>ac</em> plane that is consolidated into a three-dimensional supramolecular architecture <em>via</em> hydrogen bonding.</div></div><div><div>The asymmetric unit of the title compound, C<sub>29</sub>H<sub>22</sub>F<sub>2</sub>N<sub>4</sub>O, consists of one molecule in which the pyrimidinyl and anilinyl units exhibit near coplanarity, subtending a dihedral angle of 10.22 (7)°. In contrast, the dihydropyridine and phenyl rings are nearly perpendicular, making angles of 88.66 (7) and 89.14 (7)°. The crystal packing features alternating C—H⋯π and C—F⋯π interactions that generate a corrugated two-dimensional supramolecular network in the crystallographic <em>ac</em> plane. This structure is further consolidated into a three-dimensional architecture by C—H⋯F hydrogen bonding.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (250KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145017059","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

N-(3-Chloro-4-hydroxyphenyl)acetamide N - (3-Chloro-4-hy-droxy-phen-yl)乙酰胺。

IUCrData Pub Date : 2025-08-01 DOI: 10.1107/S2414314625006959

Rao M. Uppu , Frank R. Fronczek

引用次数: 0

(Nitrito-κO)(nitro-κN)(nitrosyl-κN)bis(triphenylphosphane-κP)rhodium(III) (亚硝酸盐-κ或)(的-κ(N) (nitrosyl -κ(N)之二- (tri-phenylphosphane -κP) rhodium (III)。

IUCrData Pub Date : 2025-07-01 DOI: 10.1107/S241431462500598X

Daniel R. Albert , Michael Gau , Edward Rajaseelan

{"title":"(Nitrito-κO)(nitro-κN)(nitrosyl-κN)bis(triphenylphosphane-κP)rhodium(III)","authors":"Daniel R. Albert , Michael Gau , Edward Rajaseelan","doi":"10.1107/S241431462500598X","DOIUrl":"10.1107/S241431462500598X","url":null,"abstract":"<div><div>The title Rh<sup>III</sup> complex is a rare example of a mononuclear compound gathering nitrito, nitro and nitrosyl ligands.</div></div><div><div>The structure of the title compound, [Rh(NO)(NO<sub>2</sub>)<sub>2</sub>(C<sub>18</sub>H<sub>15</sub>P)<sub>2</sub>] or [Rh(NO)(NO<sub>2</sub>)(ONO)(PPh<sub>3</sub>)<sub>2</sub>], has been determined by single-crystal X-ray diffraction. A previous report of the title compound showed it crystallized in a monoclinic space group [Rajaseelan <em>et al.</em> (1999<span><span>#</span></span>). <em>J. PA. Acad. Sci.</em><strong>73</strong>, 63–66; refcode SASTOW in the CSD]. However, it was unable to be refined because of severe disorder. In this study, two distinct crystals of the title compound were found showing the compound to be polymorphic. One of the crystals was unable to be resolved but was found to be in a monoclinic space group, as in the previously reported study. The other crystal was able to be refined and crystallizes in the triclinic space group <em>P</em>1. The refined structure consists of two discrete monomeric molecules per unit cell. The molecular geometry around rhodium is that of a distorted square pyramid, with nitrogen of the nitro ligand, oxygen of the nitrito ligand and phosphorus atoms of the phosphane ligands lying in the basal plane and the nitrogen atom of the bent nitrosyl occupying the apical position. The nitrosyl ligand exhibits positional disorder whereas the nitro and nitrito ligands show disorder across coordination sites with the disorder modelled in a 0.91:0.09 ratio. Both intramolecular C—H ⋯O (nitro and nitrito) and intermolecular C—H ⋯N (nitrito) interactions are observed. There are no hydrogen-bonding interactions with the N or O atoms of the nitrosyl ligand.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (325KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144801532","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

2-{(E)-[(2-Hydroxy-1-phenylethyl)imino]methyl}-4-[(E)-(4-methylphenyl)diazenyl]phenol 2 - {(E) - [(2-Hy-droxy-1-phenyl-eth-yl)亚氨基的]-meth-yl} 4 - [(E) - (4-methyl-phen-yl) diazen-yl]苯酚。

IUCrData Pub Date : 2025-07-01 DOI: 10.1107/S2414314625005991

Mohammad H. Ati , Basil A. Saleh , Adnan J. M. Al-Fartosy , Gamal A. El-Hiti , Benson M. Kariuki

引用次数: 0

1-(4-Bromophenyl)-3-chloropropan-1-one 1————4-Bromo-phen-yl -3-chloro-propan-1-one .

IUCrData Pub Date : 2025-07-01 DOI: 10.1107/S2414314625006200

Marcel Sonneck , Anke Spannenberg , Sebastian Wohlrab , Tim Peppel

引用次数: 0

catena-Poly[[[aquacopper(II)]-μ-hydroxido-κ2O:O-μ-[3-(4H-1,2,4-triazol-4-yl)benzoato]-κ2N1:N2] monohydrate] catena-Poly [[[aqua-copper (II)] -μ-hydroxido -κ2 O, O -μ- [3 - (4 h - 2 4-triazol-4-yl) benzoato] -κ2 N 1: N 2]一水]。

IUCrData Pub Date : 2025-07-01 DOI: 10.1107/S2414314625006388

Xiao-Yu Li , Ye Zhou , Hong-Can Wang , Meng Ji , Guo-Ao Li , Ai-Xin Zhu

{"title":"catena-Poly[[[aquacopper(II)]-μ-hydroxido-κ2O:O-μ-[3-(4H-1,2,4-triazol-4-yl)benzoato]-κ2N1:N2] monohydrate]","authors":"Xiao-Yu Li , Ye Zhou , Hong-Can Wang , Meng Ji , Guo-Ao Li , Ai-Xin Zhu","doi":"10.1107/S2414314625006388","DOIUrl":"10.1107/S2414314625006388","url":null,"abstract":"<div><div>The Cu<sup>2+</sup> cation in the polymeric title compound has an N<sub>2</sub>O<sub>3</sub> coordination set, intermediate between a square pyramid and a trigonal bipyramid.</div></div><div><div>In the title compound, {[Cu(C<sub>9</sub>H<sub>6</sub>N<sub>3</sub>O<sub>2</sub>)(OH)(H<sub>2</sub>O)]·H<sub>2</sub>O]}<sub><em>n</em></sub>, the Cu<sup>2+</sup> cation is situated on a twofold rotation axis and is coordinated by two triazole N atoms from two different 3-(4<em>H</em>-1,2,4-triazol-4-yl)benzoate (3-tba) ligands, by two hydroxyl O atoms and by a water O atom, forming a coordination environment intermediate between a square pyramid and a trigonal bipyramid. The Cu<sup>2+</sup> ions are connected by 3-tba ligand and a hydroxy group into polymeric chains parallel to [001]. O—H⋯O hydrogen bonds and C—H⋯O interactions consolidate the crystal structure.<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (225KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144801533","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

4,4′-Bipyridine-1,1′-diium tetrachloridodifluoridostannate(IV) monohydrate 4,4'-双吡啶-1,1'-四氯氟锡酸二钠（IV）一水。

IUCrData Pub Date : 2025-07-01 DOI: 10.1107/S2414314625005966

Amina Kemmouche , Rochdi Ghallab , Hocine Merazig

引用次数: 0

X-ray diffraction images for two membrane protein crystals presenting high anisotropy; the B. subtilis ABC transporter BmrA and the S. pneumoniae NADPH oxidase 两种高各向异性膜蛋白晶体的x射线衍射图像枯草芽孢杆菌ABC转运体BmrA和肺炎链球菌NADPH氧化酶。

IUCrData Pub Date : 2025-07-01 DOI: 10.1107/S2414314625005917

Veronica Zampieri , Annelise Vermot , Michel Thepaut , Isabelle Petit-Hartlein , Franck Fieschi , Pierre Falson , Vincent Chaptal

引用次数: 0

4-Chloro-2-phenyl-2H-chromene-3-carbaldehyde 4-Chloro-2-phenyl-2H-chromene-3-carbaldehyde。

IUCrData Pub Date : 2025-07-01 DOI: 10.1107/S2414314625006571

B. Punithavalli , A. Therasa Alphonsa

引用次数: 0