Acta Crystallographica Section E Crystallographic Communications最新文献

Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, isopropyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and t 4-[4-(二氟甲氧基)苯基]-2,7,7-三甲基-5-氧代-1,4,5,6,7,8-六氢喹啉-3-羧酸甲酯、4-[4-(二氟甲氧基)苯基]-2,6,6-三甲基-5-氧代-1,4,5,6,7,8-六氢喹啉-3-羧酸异丙酯和四氟喹啉的合成、表征、晶体结构和希尔施菲尔德表面分析

Acta Crystallographica Section E Crystallographic Communications Pub Date : 2024-02-08 DOI: 10.1107/s2056989024001233

S. Ö. Yıldırım, M. Akkurt, Ezgi Pehlivanlar, Gökalp Çetin, R. Şimşek, R. Butcher, Ajaya Bhattarai

{"title":"Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, isopropyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and t","authors":"S. Ö. Yıldırım, M. Akkurt, Ezgi Pehlivanlar, Gökalp Çetin, R. Şimşek, R. Butcher, Ajaya Bhattarai","doi":"10.1107/s2056989024001233","DOIUrl":"https://doi.org/10.1107/s2056989024001233","url":null,"abstract":"The crystal structures and Hirshfeld surface analyses of three similar compounds are reported. Methyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (C21H23F2NO4), (I), crystallizes in the monoclinic space group C2/c with Z = 8, while isopropyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (C23H27F2NO4), (II) and tert-butyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (C24H29F2NO4), (III) crystallize in the orthorhombic space group Pbca with Z = 8. In the crystal structure of (I), molecules are linked by N—H...O and C—H...O interactions, forming a tri-periodic network, while molecules of (II) and (III) are linked by N—H...O, C—H...F and C—H...π interactions, forming layers parallel to (002). The cohesion of the molecular packing is ensured by van der Waals forces between these layers. In (I), the atoms of the 4-difluoromethoxyphenyl group are disordered over two sets of sites in a 0.647 (3): 0.353 (3) ratio. In (III), the atoms of the dimethyl group attached to the cyclohexane ring, and the two carbon atoms of the cyclohexane ring are disordered over two sets of sites in a 0.646 (3):0.354 (3) ratio.","PeriodicalId":504738,"journal":{"name":"Acta Crystallographica Section E Crystallographic Communications","volume":" 20","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139793344","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-(2-Aminoethyl)morpholine-κ2 N,N′]dibromidocadmium(II): synthesis, crystal structure and Hirshfeld surface analysis [4-(2-氨基乙基)吗啉-κ2 N,N′]二溴镉(II)：合成、晶体结构和 Hirshfeld 表面分析

Acta Crystallographica Section E Crystallographic Communications Pub Date : 2024-02-08 DOI: 10.1107/s2056989024000963

B. Chidambaranathan, S. Sivaraj, P. Vijayamathubalan, S. Abraham Rajasekar, S. Selvakumar

{"title":"[4-(2-Aminoethyl)morpholine-κ2\u0000 N,N′]dibromidocadmium(II): synthesis, crystal structure and Hirshfeld surface analysis","authors":"B. Chidambaranathan, S. Sivaraj, P. Vijayamathubalan, S. Abraham Rajasekar, S. Selvakumar","doi":"10.1107/s2056989024000963","DOIUrl":"https://doi.org/10.1107/s2056989024000963","url":null,"abstract":"The title compound, [CdBr2(C6H14N2O)], was synthesized upon complexation of 4-(2-aminoethyl)morpholine and cadmium(II) bromide tetrahydrate at 303 K. It crystallizes as a centrosymmetric dimer, with one cadmium atom, two bromine atoms and one N,N′-bidentate 4-(2-aminoethyl)morpholine ligand in the asymmetric unit. The metal atom is six-coordinated and has a distorted octahedral geometry. In the crystal, O...Cd interactions link the dimers into a polymeric double chain and intermolecular C—H...O hydrogen bonds form R\u0000 2\u0000 2(6) ring motifs. Further C—H...Br and N—H...Br hydrogen bonds link the components into a three-dimensional network. As the N—H...Br hydrogen bonds are shorter than the C—H...Br interactions, they have a larger effect on the packing. A Hirshfeld surface analysis reveals that the largest contributions to the packing are from H...H (46.1%) and Br...H/H...Br (38.9%) interactions with smaller contributions from the O...H/H...O (4.7%), Br...Cd/Cd...Br (4.4%), O...Cd/Cd...O (3.5%), Br...Br (1.1%), Cd...H/H...Cd (0.9%), Br...O/O...Br (0.3%) and O...N/N...O (0.1%) contacts.","PeriodicalId":504738,"journal":{"name":"Acta Crystallographica Section E Crystallographic Communications","volume":"6 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139851781","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

Structural characterization of a new samarium–sodium heterometallic coordination polymer 新型钐钠杂金属配位聚合物的结构特征

Acta Crystallographica Section E Crystallographic Communications Pub Date : 2024-02-06 DOI: 10.1107/s2056989024001051

Ashley M. Hastings, Ashley Williams, Robert G. Surbella III, A. Hixon, Ana Arteaga

引用次数: 0

Synthesis and crystal structure of the adduct between 2-pyridylselenyl chloride and isobutyronitrile 2 吡啶硒氯与异丁腈的加合物的合成与晶体结构

Acta Crystallographica Section E Crystallographic Communications Pub Date : 2024-02-06 DOI: 10.1107/s2056989024000938

A. Temesgen, A. Sapronov, A. S. Kubasov, Alexander S. Novikov, Tuan Anh Le, A. Tskhovrebov

引用次数: 0