Inter-molecular inter-actions in a phenol-substituted benzimidazole

Acta Crystallographica. Section E, Crystallographic Communications
David K GeigerShawn M Moore

Abstract

Hydrogen bonding plays an important role in the design of solid-state structures and gels with desirable properties. 1-(4-Hydroxybenzyl)-2-(4-hydroxyphenyl)-5,6-dimethyl-1H-benzimidazole was isolated as the acetone disolvate, C22H20N2O2·2C3H6O. O-H⋯N hydrogen bonding between benz-imidazole mol-ecules results in chains parallel to [010]. One of the acetone solvate mol-ecules participates in O-H⋯O hydrogen bonding with the benzimidazole derivative. C-H⋯π inter-actions are observed in the extended structure. Hirshfeld surface analysis was used to explore the inter-molecular inter-actions and density functional theory was used to estimate the strength of the hydrogen bonds.

References

Dec 25, 2007·Acta Crystallographica. Section A, Foundations of Crystallography·George M Sheldrick
Jan 28, 2009·Acta Crystallographica. Section D, Biological Crystallography·Anthony L Spek
Aug 17, 2010·The Journal of Physical Chemistry. a·Katharina WendlerBarbara Kirchner
Jan 1, 2009·Acta Crystallographica. Section E, Structure Reports Online·Naser Eltaher EltayebRohana Adnan
Jan 1, 2009·Acta Crystallographica. Section E, Structure Reports Online·Naser Eltaher EltayebRohana Adnan
Jul 28, 2011·Journal of Computational Chemistry·Milind M DeshmukhShridhar R Gadre
Mar 14, 2012·The Journal of Physical Chemistry. a·Jayshree K KhedkarShridhar P Gejji
Mar 12, 2013·Acta Crystallographica. Section E, Structure Reports Online·A ThiruvalluvarR J Butcher
Jun 1, 2013·Acta Crystallographica. Section E, Structure Reports Online·Mohammed A S OmerChao-Hu Xiao
Jan 16, 2014·Acta Crystallographica. Section E, Structure Reports Online·Jazmin E González-PadillaSusana Rojas-Lima
Apr 26, 2014·Acta Crystallographica. Section E, Structure Reports Online·Augusto RiveraMichael Bolte
Apr 26, 2014·Acta Crystallographica. Section E, Structure Reports Online·S M PrakashN Srinivasan
Oct 9, 2014·Langmuir : the ACS Journal of Surfaces and Colloids·Sabina YasmeenMarta Roldo
Nov 27, 2014·Biomacromolecules·Hang Kuen Lau, Kristi L Kiick
Dec 30, 2014·Acta Crystallographica. Section A, Foundations and Advances·George M Sheldrick
Aug 15, 2015·The Journal of Physical Chemistry Letters·Michael J TurnerMark A Spackman
Jan 8, 2016·Journal of the American Chemical Society·Mark W TibbittRobert Langer
Jun 4, 2016·Langmuir : the ACS Journal of Surfaces and Colloids·Hai-Qiu Wu, Chang-Chun Wang
Nov 5, 2016·Acta Crystallographica. Section C, Structural Chemistry·David K Geiger, Matthew R DeStefano
Mar 25, 2017·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Danuta Rusinska-Roszak
Apr 6, 2017·Acta Crystallographica. Section C, Structural Chemistry·H Cristina GeigerDavid K Geiger
Sep 22, 2017·Acta Crystallographica. Section E, Crystallographic Communications·Tuhin KhanAnindya Datta
Oct 6, 2017·Acta Crystallographica. Section C, Structural Chemistry·David K GeigerWilliam R Roberts
Jun 1, 2018·Acta Crystallographica. Section E, Crystallographic Communications·David K GeigerDominic L Morell
Mar 14, 2016·ACS Biomaterials Science & Engineering·Sing Shy LiowXian Jun Loh
Apr 13, 2015·ACS Biomaterials Science & Engineering·Le-Ping YanRui L Reis

❮ Previous
Next ❯

Citations


❮ Previous
Next ❯

Methods Mentioned

BETA
neutron diffraction
X-ray

Software Mentioned

SPARTAN
CrystalExplorer17

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Acta Crystallographica. Section E, Structure Reports Online
Naser Eltaher EltayebRohana Adnan
Acta Crystallographica. Section E, Structure Reports Online
Qi Li, Wei-Jian Xue
Acta Crystallographica. Section E, Structure Reports Online
Cheng-Feng Wang
Acta Crystallographica. Section E, Structure Reports Online
Zainab NgainiHoong-Kun Fun
Acta Crystallographica. Section E, Structure Reports Online
Augusto RiveraMichael Bolte
© 2022 Meta ULC. All rights reserved