Synthesis, Characterization and X-ray Crystal Structure of the Di-Mannich Base 2,2'-(3aR,7aR/3aS,7aS)-Hexahydro-1H-benzo[d]imidazole-1,3(2H)-diyl)bis(methylene)bis(4-methylphenol)

被引：10

作者：

Rivera, Augusto ^{[1
]}

Quiroga, Diego ^{[1
]}

Rios-Motta, Jaime ^{[1
]}

Carda, Juan ^{[2
]}

Peris, Gabriel ^{[3
]}

机构：

[1] Univ Nacl Colombia, Dept Quim, Bogota, Colombia

[2] Univ Jaume 1, Dept Quim Inorgan & Organ, Castellon de La Plana 12071, Spain

[3] Univ Jaume 1, Serv Cent Instrumentacio Cient, Castellon de La Plana 12071, Spain

来源：

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 2009年 / 39卷 / 11期

关键词：

Di-Mannich bases; 2,2 '-(3aR,7aR/3aS,7aS)-Hexahydro-1H-benzo[d]imidazole-; 1,3(2H)-diyl)bis(methylene)bis(4-methylphenol); Crystal structure; Intramolecular hydrogen bond; Aminal cage; HYDROGEN-BONDS; DERIVATIVES; H-1-NMR; AMINALS; PRODUCT; COMPLEX; SCHIFF; SYSTEM; LIGAND; SALAN;

D O I：

10.1007/s10870-009-9578-0

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The crystal structure of new racemic di-Mannich base 2,2'-(3aR,7aR/3aS,7aS)-hexahydro-1H-benzo[d]imidazole-1,3(2H)-diyl)bis(methylene)bis(4-methylphenol) (4), is reported. The structure of the title compound, C(23)H(30)N(2)O(2), shows two intramolecular O-H center dot center dot center dot N hydrogen bonding interactions. This compound crystallizes in triclinic symmetry, in space group P-1, with lattice constants: a = 6.2563(3) angstrom, b = 12.1743(7) angstrom, c = 14.7257(7) angstrom, alpha = 108.11(1)degrees, beta = 99.77(1)degrees, gamma = 98.78(1), V = 1024.97(9) (3), Z = 2, F(000) = 396, R (1) = 8.3%, wR (2) = 14.7%.

引用

页码：827 / 830

页数：4

共 50 条

[1] Synthesis, Characterization and X-ray Crystal Structure of the Di-Mannich Base 2,2′-(3aR,7aR/3aS,7aS)-Hexahydro-1H-benzo[d]imidazole-1,3(2H)-diyl)bis(methylene)bis(4-methylphenol)
Augusto Rivera
Diego Quiroga
Jaime Ríos-Motta
Juan Carda
Gabriel Peris
Journal of Chemical Crystallography, 2009, 39 : 827 - 830
[2] Crystal structure of the thalidomide analog (3aR*,7aS*)-2-(2,6-dioxopiperidin-3-yl)hexahydro-1H-isoindole-1,3(2H)-dione
Hijji, Yousef
Benjamin, Ellis
Jasinski, Jerry P.
Butcher, Ray J.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2018, 74 : 1595 - +
[3] Crystal structures of [μ2-(Ra,Sa,3aR,7aR)-1,3-bis(2,7-dicyclohexvInapnthalen-1-yl)octahydro-1H-benzo[d]iminazoliclin-2-yildene]chlorido(η4-1 5-cyclooctamene)indium dichloromethane monosolvate and [μ2-(Sa,Sa,3aR,7aR)-1,3-bis(2,7-dicyclohexvInaphtnalen-1 -yl)octahvdro-1H-benzolajmnidazoliam-2-ylidene]chiondo(η4-1 ,5-cyclooctadiene)-iricuum
Moggach, Stephen A.
Skelton, Brian W.
Foster, Daven J.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2020, 76 : 1543 - +
[4] Crystal structure of 2,2′-{[(2-nitrobenzyl)azanediyl]bis(propane-3,1-diyl)}bis[1H-isoindole-1,3(2H)-dione]
Holmberg, Ryne
Franz, Vanessa
Moser, Kristen M.
Solano, Ricardo
Moore, Curtis
Rheingold, Arnold L.
Smith, Gary L. N.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2021, 77 : 83 - +
[5] Crystal structure and Hirshfeld surface analysis of (3aR,4S,7S,7aS)-4,5,6,7,8,8-hexachloro-2-{6[(3aR,4R,7R,7aS)-4,5,6,7,8,8-hexachloro-1,3-dioxo- 1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]hexyl}-3a,4,7,7a-tetrahydro-1H-4,7-methano- isoindole-1,3(2H)-dione
Alikhanova, Aygun, I
Atioglu, Zeliha
Akkurt, Mehmet
Mlowe, Sixberth
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2021, 77 : 775 - +
[6] Crystal Structures of (3R,3aR,4S,7R,7aS)-3-(Allyloxy)hexahydro-4,7-epoxyisobenzofuran-1(3H)-one and (3S,3aR,4S,7R,7aS)-3-((E)-But-2-en-1-yloxy)hexahydro-4,7-epoxyisobenzofuran-1(3H)-one: Confirmation of NMR Predicted Stereocentre Geometry
Mark Tarleton
Paul V. Bernhardt
Adam McCluskey
Journal of Chemical Crystallography, 2012, 42 : 639 - 644
[7] Crystal Structures of (3R,3aR,4S,7R,7aS)-3-(Allyloxy)hexahydro-4,7-epoxyisobenzofuran-1(3H)-one and (3S,3aR,4S,7R,7aS)-3-((E)-But-2-en-1-yloxy)hexahydro-4,7-epoxyisobenzofuran-1(3H)-one: Confirmation of NMR Predicted Stereocentre Geometry
Tarleton, Mark
Bernhardt, Paul V.
McCluskey, Adam
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, 2012, 42 (06) : 639 - 644
[8] Synthesis and Absolute Configuration of (2S, 3S, 3aS,6S,7aR)-2,3-Dihydroxy2-((R)-1-hydroxy-3-methylbutyl)-3,6dimethylhexahydrobenzofuran-4(2H)-one
Li Dong-Wei
Zuo Hong-Hua
Hu Min
Zhang Jiao-Yan
Chen Lei
Huang Nian-Yu
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2017, 36 (08) : 1276 - 1282
[9] Synthesis, crystal structure and absolute configuration of (3aS,4R,5S,7aR)-7-(but-3-en-1-yn-1-yl)-2,2-dimethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxole-4,5-diol
de Abreu Lima, Alejandro Peixoto
Pandolfi, Enrique
Schapiro, Valeria
Suescun, Leopoldo
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2024, 80 : 1165 - +
[10] 2,2′-(2-Oxopropane-1,3-diyl)bis-(2-hydroxy-1H-indene-1,3(2H)-dione): synthesis, crystal, electronic and molecular docking studies
Ghalib, Raza Murad
Mehdi, Syad Hasan
Hasan, Tanveer
Gupta, Anoop Kumar
SN APPLIED SCIENCES, 2019, 1 (04):

← 1 2 3 4 5 →