Pub Date : 2024-03-01DOI: 10.1107/S2414314624001986
Liping Kang , Sihui Long , W. T. A. Harrison (Editor)
The molecules of the title compound pair up to form carboxylic acid–carboxylic acid homodimers in the crystal structure.
The title compound, C13H10BrNO2, was obtained by the reaction of 2,5-dibromobenzoic acid and aniline. The molecule is twisted with a dihedral angle between the aromatic rings of 45.74 (11)° and an intramolecular N—H⋯O hydrogen bond is seen. In the crystal, pairwise O—H⋯O hydrogen bonds generate carboxylic acid inversion dimers.
{"title":"5-Bromo-2-(phenylamino)benzoic acid","authors":"Liping Kang , Sihui Long , W. T. A. Harrison (Editor)","doi":"10.1107/S2414314624001986","DOIUrl":"10.1107/S2414314624001986","url":null,"abstract":"<div><p>The molecules of the title compound pair up to form carboxylic acid–carboxylic acid homodimers in the crystal structure.</p></div><div><p>The title compound, C<sub>13</sub>H<sub>10</sub>BrNO<sub>2</sub>, was obtained by the reaction of 2,5-dibromobenzoic acid and aniline. The molecule is twisted with a dihedral angle between the aromatic rings of 45.74 (11)° and an intramolecular N—H⋯O hydrogen bond is seen. In the crystal, pairwise O—H⋯O hydrogen bonds generate carboxylic acid inversion dimers. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (220KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140078524","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}
Pub Date : 2024-03-01DOI: 10.1107/S2414314624002347
Claudia Oliva-Colunga , Jessica J. Sánchez García , Marcos Flores-Alamo , Elena I. Klimova , E. R. T. Tiekink (Editor)
The structure of 2-ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane, is described. In the crystal, cyclopentadienyl-C—H⋯O(morpholinyl) interactions feature within helical chains parallel to the c-axis direction. The chains are connected by methylene- and cyclopentadienyl-C—H⋯O(cyclopentadienyl) interactions.
The molecular structure of 2-ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane, [Fe2(C5H5)2(C19H21NOS2)] or C29H31Fe2NOS2, has the ferrocenyl fragments in a trans disposition with respect to the vinyl group. One of the methylene groups is disordered over two sites with occupancies of 0.782 (13):0.218 (13). In the crystal, cyclopentadienyl-C—H⋯O(morpholinyl) interactions feature within helical chains parallel to the c-axis direction. The chains are connected by methylene- and cyclopentadienyl-C—H⋯O(cyclopentadienyl) interactions.
2-ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane, [Fe2(C5H5)2(C19H21NOS2)] 或 C29H31Fe2NOS2 的分子结构中,二茂铁基片段与乙烯基呈反式排列。其中一个亚甲基杂乱地分布在两个位点上,占据率分别为 0.782 (13):0.218 (13)。在晶体中,环戊二烯基-C-H...O(吗啉基)相互作用在平行于 c 轴方向的螺旋链上。这些链通过亚甲基和环戊二烯基-C-H...O(环戊二烯基)相互作用连接起来。
{"title":"2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane","authors":"Claudia Oliva-Colunga , Jessica J. Sánchez García , Marcos Flores-Alamo , Elena I. Klimova , E. R. T. Tiekink (Editor)","doi":"10.1107/S2414314624002347","DOIUrl":"10.1107/S2414314624002347","url":null,"abstract":"<div><p>The structure of 2-ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane, is described. In the crystal, cyclopentadienyl-C—H⋯O(morpholinyl) interactions feature within helical chains parallel to the <em>c</em>-axis direction. The chains are connected by methylene- and cyclopentadienyl-C—H⋯O(cyclopentadienyl) interactions.</p></div><div><p>The molecular structure of 2-ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane, [Fe<sub>2</sub>(C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(C<sub>19</sub>H<sub>21</sub>NOS<sub>2</sub>)] or C<sub>29</sub>H<sub>31</sub>Fe<sub>2</sub>NOS<sub>2</sub>, has the ferrocenyl fragments in a <em>trans</em> disposition with respect to the vinyl group. One of the methylene groups is disordered over two sites with occupancies of 0.782 (13):0.218 (13). In the crystal, cyclopentadienyl-C—H⋯O(morpholinyl) interactions feature within helical chains parallel to the <em>c</em>-axis direction. The chains are connected by methylene- and cyclopentadienyl-C—H⋯O(cyclopentadienyl) interactions. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (323KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140223256","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}