{"title":"（2-氨基-1-甲基-苯并咪唑-κ n3）水-双-（4-氧opop2 -en-2-olato-κ 2o，O'）镍（II）乙醇单溶剂的合成、晶体结构和Hirshfeld表面分析","authors":"Kyzlarkhan Siddikova , Murodov Sardor , Akmaljon Tojiboyev , Zukhra Kadirova , Jamshid Ashurov , Shahlo Daminova","doi":"10.1107/S2056989024008958","DOIUrl":null,"url":null,"abstract":"<div><div>The title compound was synthesized from acetylacetone and benzimidazole derivative. There are two independent complex molecules in the asymmetric unit, which are linked by N—H⋯O and O—H⋯O hydrogen bonds along [111].</div></div><div><div>The molecule of the title compound, [Ni(C<sub>5</sub>H<sub>7</sub>O<sub>2</sub>)<sub>2</sub>(C<sub>8</sub>H<sub>9</sub>N<sub>3</sub>)(H<sub>2</sub>O)]·C<sub>2</sub>H<sub>5</sub>OH, has triclinic (<em>P</em><blockquote><div><figure><img></figure></div></blockquote>) symmetry. This compound is of interest for its antimicrobial properties. The asymmetric unit comprises two independent complex molecules, which are linked by N—H⋯O and O—H⋯O hydrogen bonds along [111]. Hirshfeld surface analysis indicates that 71.7% of intermolecular interactions come from H⋯H contacts, 17.7% from C⋯H/H⋯C contacts and 7.6% from O⋯H/H⋯O contacts, with the remaining contribution coming from N⋯H/H⋯N, C⋯N/N⋯C, C⋯C and O⋯O contacts.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1186-1189"},"PeriodicalIF":0.5000,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660480/pdf/","citationCount":"0","resultStr":"{\"title\":\"Synthesis, crystal structure and Hirshfeld surface analysis of (2-amino-1-methylbenzimidazole-κN3)aquabis(4-oxopent-2-en-2-olato-κ2O,O′)nickel(II) ethanol monosolvate\",\"authors\":\"Kyzlarkhan Siddikova , Murodov Sardor , Akmaljon Tojiboyev , Zukhra Kadirova , Jamshid Ashurov , Shahlo Daminova\",\"doi\":\"10.1107/S2056989024008958\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The title compound was synthesized from acetylacetone and benzimidazole derivative. There are two independent complex molecules in the asymmetric unit, which are linked by N—H⋯O and O—H⋯O hydrogen bonds along [111].</div></div><div><div>The molecule of the title compound, [Ni(C<sub>5</sub>H<sub>7</sub>O<sub>2</sub>)<sub>2</sub>(C<sub>8</sub>H<sub>9</sub>N<sub>3</sub>)(H<sub>2</sub>O)]·C<sub>2</sub>H<sub>5</sub>OH, has triclinic (<em>P</em><blockquote><div><figure><img></figure></div></blockquote>) symmetry. This compound is of interest for its antimicrobial properties. The asymmetric unit comprises two independent complex molecules, which are linked by N—H⋯O and O—H⋯O hydrogen bonds along [111]. Hirshfeld surface analysis indicates that 71.7% of intermolecular interactions come from H⋯H contacts, 17.7% from C⋯H/H⋯C contacts and 7.6% from O⋯H/H⋯O contacts, with the remaining contribution coming from N⋯H/H⋯N, C⋯N/N⋯C, C⋯C and O⋯O contacts.</div></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 11\",\"pages\":\"Pages 1186-1189\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660480/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2056989024002603\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989024002603","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Synthesis, crystal structure and Hirshfeld surface analysis of (2-amino-1-methylbenzimidazole-κN3)aquabis(4-oxopent-2-en-2-olato-κ2O,O′)nickel(II) ethanol monosolvate
The title compound was synthesized from acetylacetone and benzimidazole derivative. There are two independent complex molecules in the asymmetric unit, which are linked by N—H⋯O and O—H⋯O hydrogen bonds along [111].
The molecule of the title compound, [Ni(C5H7O2)2(C8H9N3)(H2O)]·C2H5OH, has triclinic (P
) symmetry. This compound is of interest for its antimicrobial properties. The asymmetric unit comprises two independent complex molecules, which are linked by N—H⋯O and O—H⋯O hydrogen bonds along [111]. Hirshfeld surface analysis indicates that 71.7% of intermolecular interactions come from H⋯H contacts, 17.7% from C⋯H/H⋯C contacts and 7.6% from O⋯H/H⋯O contacts, with the remaining contribution coming from N⋯H/H⋯N, C⋯N/N⋯C, C⋯C and O⋯O contacts.
期刊介绍：
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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