5-溴-1-乙基吲哚啉-2,3-二酮的晶体结构
Crystal structure of 5-bromo-1-ethyl-indoline-2,3-dione.
作者信息
Kharbach Yassine, Haoudi Amal, Capet Frédéric, Mazzah Ahmed, El Ammari Lahcen
机构信息
Laboratoire de Chimie Appliquée, Faculté des Sciences et Techniques, Université Sidi Mohamed Ben Abdallah, Fès, Morocco.
Unité de Catalyse et de Chimie du Solide (UCCS), UMR 8181. Ecole Nationale, Supérieure de Chimie de Lille, Université Lille 1, 59650 Villeneuve, d'Ascq Cedex, France.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Dec 6;71(Pt 12):o1024-5. doi: 10.1107/S2056989015023002. eCollection 2015 Dec 1.
The title compound, C10H8BrNO2, crystallizes with two independent molcules (A and B) in the asymmetric unit. In each mol-ecule, the indoline ring system is almost planar, with the largest deviation from the mean plane being 0.016 (2) Å in mol-ecule A and 0.040 (13) Å in mol-ecule B. In each mol-ecule, the ethyl group is nearly perpendicular to the indoline ring system with C-C-N-C torsion angles of -94.8 (3) and 93.0 (3)° in mol-ecules A and B, respectively. In the crystal, the two mol-ecules are inclined to each other, making a dihedral angle of 6.28 (8)°. In the molecular packing, the A and B mol-ecules are linked by C-H⋯O hydrogen bonds, forming -A-B-A-B- chains along [01-1]. Parallel chains are linked via a weak slipped parallel π-π inter-action [inter-centroid distance = 3.6107 (14) Å] and a short Br⋯O contact [3.183 (2) Å], forming a three-dimensional structure.
标题化合物C10H8BrNO2在不对称单元中以两个独立分子（A和B）结晶。在每个分子中，二氢吲哚环系几乎是平面的，分子A中与平均平面的最大偏差为0.016（2）Å，分子B中为0.040（13）Å。在每个分子中，乙基几乎垂直于二氢吲哚环系，分子A和B中C-C-N-C扭转角分别为-94.8（3）°和93.0（3）°。在晶体中，两个分子相互倾斜，二面角为6.28（8）°。在分子堆积中，A和B分子通过C-H⋯O氢键相连，沿[01-1]形成-A-B-A-B-链。平行链通过弱的滑移平行π-π相互作用[质心间距 = 3.6107（14）Å]和短的Br⋯O接触[3.183（2）Å]相连，形成三维结构。
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