Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-4,6-epoxy-1H-cyclopenta[c]-pyridin-1-one

被引:0
|
作者
Mertsalov, Dmitriy F. [1 ]
Surina, Nataliya S. [1 ]
Sorokina, Elena A. [1 ]
Celikesir, Sevim Turktekin [2 ]
Akkurt, Mehmet [2 ]
Grigoriev, Mikhail S. [3 ]
Mlowe, Sixberth [4 ]
机构
[1] Peoples Friendship Univ Russia, Dept Organ Chem, RUDN Univ, 6 Miklukho Maklaya St, Moscow 117198, Russia
[2] Erciyes Univ, Fac Sci, Dept Phys, TR-38039 Kayseri, Turkey
[3] Russian Acad Sci, Frumkin Inst Phys Chem & Electrochem, Leninskiy Prospect 31-4, Moscow 119071, Russia
[4] Univ Dar Es Salaam, Coll Educ, Dept Chem, POB 2329, Dar Es Salaam, Tanzania
关键词
crystal structure; epoxyisoindole group; hydrogen bond; halogen bond; non-covalent interactions; Hirshfeld surface analysis; CATALYTIC-ACTIVITY; BARBITURIC-ACID; CYANOSILYLATION; COMPLEXES; ARYLHYDRAZONE; COORDINATION; HALOGEN; OXIDATION; IRON(III); ALDEHYDES;
D O I
10.1107/S2056989021003273
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The molecule of the title compound, C15H15Br2NO3, comprises a fused tricyclic system consisting of two five-membered rings (cyclopentane and tetrahydrofuran) and one six-membered ring (tetrahydropyridinone). Both five-membered rings of the tricyclic system have envelope conformations, and the conformation of the six-membered cycle is intermediate between chair and half-chair. In the crystal, the molecules are linked by C-H center dot center dot center dot O hydrogen bonds and C-H center dot center dot center dot pi, C-Br center dot center dot center dot pi and C center dot center dot center dot O interactions into double layers. The layers are connected into a three-dimensional network by van der Waals interactions.
引用
收藏
页码:532 / +
页数:10
相关论文
共 50 条
  • [1] Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1H-isoindol-1-one
    Mertsalov, Dmitriy F.
    Nadirova, Maryana A.
    Chervyakova, Lala, V
    Grigoriev, Mikhail S.
    Shelukho, Evgeniya R.
    Celikesir, Sevim Turktekin
    Akkurt, Mehmet
    Mlowe, Sixberth
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2021, 77 : 237 - +
  • [2] Crystal structure and Hirshfeld surface analysis of 2-benzyl-4,5-dibromo-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1H-isoindol-1-one
    Mertsalov, Dmitriy F.
    Zaytsev, Vladimir P.
    Pokazeev, Kuzma M.
    Grigoriev, Mikhail S.
    Bachinsky, Alexander, V
    Celikesir, Sevim Turktekin
    Akkurt, Mehmet
    Mlowe, Sixberth
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2021, 77 : 255 - +
  • [3] (3aS,4R,5R,6S,7aR)-4,5-Dibromo-2-[4-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1H-isoindol-1-one: crystal structure and Hirshfeld surface analysis
    Mertsalov, Dmitriy F.
    Alekseeva, Kseniia A.
    Daria, Magrycheva S.
    Cheshigin, Maxim E.
    Celikesir, Sevim Turktekin
    Akkurt, Mehmet
    Grigoriev, Mikhail S.
    Mlowe, Sixberth
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2021, 77 : 466 - +
  • [4] Crystal Structure and Hirshfeld Surface Analysis of 3,5-Bis(4-Methoxyphenyl)-4,5-Dihydro-1H-Pyrazole-1-Carbothioamide
    S. D. Kanmazalp
    N. Dege
    I. O. Ilhan
    N. Akin
    Journal of Structural Chemistry, 2020, 61 : 126 - 132
  • [5] Crystal Structure and Hirshfeld Surface Analysis of 3,5-Bis(4-Methoxyphenyl)-4,5-Dihydro-1H-Pyrazole-1-Carbothioamide
    Kanmazalp, S. D.
    Dege, N.
    Ilhan, I. O.
    Akin, N.
    JOURNAL OF STRUCTURAL CHEMISTRY, 2020, 61 (01) : 126 - 132
  • [7] STRUCTURE OF 7A-HYDROXY-4-PHENYL-1,2,4,4A,5,6,7,7A-OCTAHYDRO-CYCLOPENTA[D][1,3]THIAZINE-2-THIONE
    ARGAY, G
    KALMAN, A
    PERJESI, P
    SZABO, D
    ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1987, 43 : 324 - 326
  • [8] 5-(4-Methoxyphenyl)-3-(pyridin-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
    Nonthason, Phonpawee
    Suwunwong, Thitipone
    Chantrapromma, Suchada
    Fun, Hoong-Kun
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O3501 - U1122
  • [9] 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    Teh, JBJ
    Fun, HK
    Razak, IA
    Chantrapromma, S
    Boonnak, N
    Karalai, C
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2005, 61 : O3715 - O3717
  • [10] Crystal structure of 5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde
    Adam, Farook
    Samshuddin, Seranthimata
    Shruthi
    Narayana, Badiadka
    Ameram, Nadiah
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O1093 - U1472