Carren Nyapola, Sizwe J Zamisa, Eric M Njogu, Bernard Omondi
{"title":"2-Amino-5-oxo-4-(thio-phen-2-yl)-5,6,7,8-tetra-hydro-4<i>H</i>-chromene-3-carbo-nitrile.","authors":"Carren Nyapola, Sizwe J Zamisa, Eric M Njogu, Bernard Omondi","doi":"10.1107/S2414314624010496","DOIUrl":null,"url":null,"abstract":"<p><p>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 mol-ecules within the asymmetric unit. Each mol-ecule contains a chromenone core attached to a 2-thio-phene ring, cyano, and amino groups. The 2-thio-phene ring of one of the two mol-ecules 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-thio-phene ring is nearly orthogonal to the fused 4<i>H</i>-pyran ring, with dihedral angles between the two sets of planes being 89.5 (5) and 89.63 (8)°. Inter-molecular hydrogen bonding, involving N-H⋯N and N-H⋯O inter-actions, creates two distinct motifs leading to the formation of a two-dimensional supra-molecular network along the crystallographic <i>ac</i> plane.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 Pt 11","pages":"x241049"},"PeriodicalIF":0.0000,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11618874/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S2414314624010496","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/11/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
The crystal structure of the title compound, C14H12N2O2S, reveals two symmetrically independent mol-ecules within the asymmetric unit. Each mol-ecule contains a chromenone core attached to a 2-thio-phene ring, cyano, and amino groups. The 2-thio-phene ring of one of the two mol-ecules 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-thio-phene ring is nearly orthogonal to the fused 4H-pyran ring, with dihedral angles between the two sets of planes being 89.5 (5) and 89.63 (8)°. Inter-molecular hydrogen bonding, involving N-H⋯N and N-H⋯O inter-actions, creates two distinct motifs leading to the formation of a two-dimensional supra-molecular network along the crystallographic ac plane.