Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-meth­oxy­phen­yl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate

elik .; Akkurt M.; Jarrahpour A.; Rad J.A.; elik .

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate

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Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate

机译：2-[（（3S，4S）-4-（蒽-9-基）-1-（4-甲氧基苯基）-2-氧杂氮杂丁-3-基] -2-氮杂-2H-苯并菲-1,3的晶体结构-dione未知溶剂化物

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The central β-lactam ring of the title compound, C36H24N2O4, is almost planar (r.m.s. deviation = 0.003 Å) and makes dihedral angles of 17.17 (19), 89.76 (17) and 78.44 (17)° with the benzene ring, the anthracene ring (r.m.s. deviation = 0.003 Å) and the 1H-benzo[de]isoquinoline-1,3(2H)-dione moiety, which is nearly planar [maximum deviation = 0.098 (2) Å], respectively. The molecular structure is stabilized by an intramolecular C—H⋯N hydrogen bond. In the crystal, molecules are linked via C—H⋯π and π–π stacking interactions [centroid–centroid distances = 3.5270 (19) and 3.779 (2) Å], forming a three-dimensional structure. A region of disordered electron density, probably disordered solvent molecules, was treated with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9–18], which indicated a solvent cavity of 322 Å3 containing approximately 91 electrons. Their formula mass and unit-cell characteristics were not taken into account during the refinement.

机译：标题化合物C36H24N2O4的中心β-内酰胺环几乎为平面（均方根偏差= 0.003Å），与苯环（蒽）的二面角为17.17（19），89.76（17）和78.44（17）°。环（均方根偏差= 0.003）和1H-苯并[异]喹啉-1,3（2H）-二酮部分，它们几乎是平面的[最大偏差= 0.098（2）]。通过分子内CHN氢键使分子结构稳定。在晶体中，分子通过CH-π和π-π堆积相互作用[质心-质心距离= 3.5270（19）和3.779（2）Å]连接，形成三维结构。在PLATON中使用SQUEEZE程序处理了电子密度混乱的区域（可能是溶剂分子混乱的区域）[Spek（2015）。 Acta Cryst。 C71 [9–18]，表示溶剂腔322Å3包含大约91个电子。在精炼过程中未考虑其配方质量和晶胞特性。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2015年第3期|共页
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elik .; Akkurt M.; Jarrahpour A.; Rad J.A.; elik .;
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中图分类晶体学;
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CRYSTAL STRUCTUREBETA-LACTAM RING2-AZETIDINONEANTHRACENEINTRAMOLECULAR C-H...N HYDROGEN BONDC-H...PI INTERACTIONSPI-PI STACKING INTERACTIONS;

机译：晶体结构[BETA]-内酰胺环2-氮杂环丁酮-对映异构体分子间C-H ... N氢键-H ... [PI]相互作用[PI]-[PI]堆积相互作用;

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1. Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate [J] . elik ., Akkurt M., Jarrahpour A., Acta Crystallographica Section E: Crystallographic Communications . 2015,第3期

机译：2-[（（3S，4S）-4-（蒽-9-基）-1-（4-甲氧基苯基）-2-氧杂氮杂丁-3-基] -2-氮杂-2H-苯并菲-1,3的晶体结构-dione未知溶剂化物
2. Crystal structure of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]benzo[de]isoquinoline-1,3-dione dimethyl sulfoxide monosolvate [J] . elik ., Akkurt M., Jarrahpour A., Acta Crystallographica Section E: Crystallographic Communications . 2015,第2期

机译：2- [4-（4-氯苯基）-1-（4-甲氧基苯基）-2-氧杂氮杂丁-3-基]苯并[de]异喹啉-1,3-二酮二甲基亚砜单溶剂化物的晶体结构
3. Crystal structure of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]benzo[de]isoquinoline-1,3-dione dimethyl sulfoxide monosolvate [J] . elik ., Akkurt M., Jarrahpour A., Acta Crystallographica Section E: Crystallographic Communications . 2015,第2期

机译：2- [4-（4-氯苯基）-1-（4-甲氧基苯基）-2-氧杂氮杂丁-3-基]苯并[de]异喹啉-1,3-二酮二甲基亚砜单溶剂化物的晶体结构
4. Synthesis and crystal structure of 1-(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyI)tetrariyclrofuran-2-yl)-5-iodopyrimidine-2,4(1H,3H)-dione [C] . Wei Li, Qiang Xiao, Ruchun Yang International Conference on Chemical Engineering, Metallurgical Engineering and Metallic Materials . 2014

机译：合成和晶体结构1-（2R，3S，4R，5R）-3-氟-4-羟基-5-（羟甲乙基）四-5-碘嘧啶-2-基-2,4（1H，3H） - 迪奥牛
5. Crystal structure of 2-(3S4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl-2-aza-2H-phenalene-13-dione unknown solvate [O] . Ísmail Çelik, Mehmet Akkurt, Aliasghar Jarrahpour, 2015

机译：2-（（3S4S）-4-（蒽-9-基）-1-（4-甲氧基苯基）-2-氧杂氮杂丁-3-基 -2-氮杂-2H-苯并菲-13的晶体结构-dione未知溶剂化物
6. Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate [O] . Ísmail Çelik, Mehmet Akkurt, Aliasghar Jarrahpour, 2015

机译：2 - [（3s，4s）-4-（蒽-9-基）-1-（4-甲氧基苯基）-2-氧代氮杂环丁烷-3-基] -2-氮杂-2H-苯乙烯-1,3的晶体结构-dione unknown solvate

Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-meth­oxy­phen­yl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate

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Crystal structure of 2-[(3S,4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate