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(2E)-1-(2,4-二甲基喹啉-3-基)-3-(噻吩-2-基)丙-2-烯-1-酮

(2E)-1-(2,4-Dimethyl-quinolin-3-yl)-3-(thio-phen-2-yl)prop-2-en-1-one.

作者信息

Prasath R, Bhavana P, Ng Seik Weng, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2283-4. doi: 10.1107/S1600536811031485. Epub 2011 Aug 11.

Abstract

Two independent but virtually identical mol-ecules comprise the asymmetric unit in the title compound, C(18)H(15)NOS. With reference to the quinolin-3-yl group, the 3-(thio-phen-2-yl)prop-2-en-1-one residue is almost perpendicular, with all but the carbonyl O atom lying to one side of the plane. This conformation is reflected by the C-C-C-C torsion angles of -102.2 (3) and 81.1 (3)° in the two independent mol-ecules. The dihedral angle formed between the 13 non-H atoms directly associated with the quinolin-3-yl group and the thio-phen-2-yl ring is 87.70 (11)° [83.85 (10)° for the second independent mol-ecule]. The presence of C-H⋯O, C-H⋯N and π-π inter-actions [centroid-centroid distance = 3.5590 (12) Å] lead to supra-molecular chains along the c-axis direction. These are connected along the a-axis direction by C-H⋯π inter-actions. The resultant supra-molecular layers stack along the b axis.

摘要

在标题化合物C(18)H(15)NOS中,两个独立但几乎相同的分子构成了不对称单元。相对于喹啉-3-基,3-(噻吩-2-基)丙-2-烯-1-酮残基几乎垂直,除羰基O原子外的所有原子都位于该平面的一侧。这种构象在两个独立分子中的C-C-C-C扭转角为-102.2 (3)°和81.1 (3)°中得到体现。与喹啉-3-基直接相连的13个非H原子与噻吩-2-基环之间形成的二面角为87.70 (11)° [第二个独立分子为83.85 (10)°]。C-H⋯O、C-H⋯N和π-π相互作用[质心-质心距离 = 3.5590 (12) Å]的存在导致沿c轴方向形成超分子链。这些超分子链通过C-H⋯π相互作用沿a轴方向相连。最终的超分子层沿b轴堆叠。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a4b8/3200943/b2314feab3b6/e-67-o2283-fig1.jpg

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