NDLI: 6-[(4-Fluorophenyl)(1H-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol and 6-[(4-methoxyphenyl)(1H-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol

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$catena-Poly[thorium(IV)-tetrakis(_{2}-3-carboxyadamantane-1-carboxylato)]:$ a quadruple helical strand driven by a synergy of coordination and hydrogen bonding

Bis{-2-[(2-carbamoylhydrazin-1-ylidene)methyl]phenolato}bis[chloridozinc(II)] methanol disolvate, with non-aromatic-aromatic - stacking and N-HCl-Zn hydrogen bonding

A two-dimensional $Zn^{II}$ coordination polymer constructed by benzotriazole-5-carboxylate and 1,4,8,9-tetraazatriphenylene

A new coordination complex based on a polynitrile ligand: bis(4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole)diaquairon(II) bis(1,1,3,3-tetracyano-2-methylsulfanylpropenide)

An optically pure P-alkene-ligated $Ir^{I}$ complex

A urea adduct of bis(hinokitiolato)copper(II)

The first square-planar copper(II) 1:2 complex with differently coordinated 2-hydroxybenzaldehyde 4-allylthiosemicarbazone ligands

A low-temperature phase of bis(tetrabutylammonium) $octa-_{3}-chlorido-hexachlorido-octahedro-hexatungstate$

$(Acetato-^{2}O,O`)dihydroxidoytterbium(III)$ hemihydrate

$Poly[(_{4}-biphenyl-3,3`,4,4`-tetracarboxylato)bis[_{2}-1,4-bis(imidazol-1-ylmethyl)benzene]dicobalt(II)]$

Structural properties of trans-cyclohexane-1,2-diamine complexes of copper(II) and zinc(II) acesulfamates

Two isomorphous azastilbene derivatives: 1-(2-chlorobenzyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridinium chloride and 1-(2-bromobenzyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridinium bromide

4-Deoxy-4-fluoro-β-d-glucopyranose

6-[(4-Fluorophenyl)(1H-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol and 6-[(4-methoxyphenyl)(1H-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol

7-Amino-2-methylsulfanyl-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylic acid as the dimethylformamide and water monosolvates at 293 K

Two three-dimensional networks in two polymorphs of biphenyl-4,4'-diaminium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate

Unconventional hydrogen bonding and -stacking in two substituted pyridine carboxamides

6,6'-Dimethoxygossypolone

2-Cyano-N-(4,6-dimethoxypyrimidin-2-yl)acetamide: complex sheets built from N-HO and C-HO hydrogen bonds

N,N-Diphenylbenzamide

Year: 2010 Volume: 66 Issue: Part 9

Year: 2010 Volume: 66 Issue: Part 8

Year: 2010 Volume: 66 Issue: Part 7

Year: 2010 Volume: 66 Issue: Part 6

Year: 2010 Volume: 66 Issue: Part 5

Year: 2010 Volume: 66 Issue: Part 4

Year: 2010 Volume: 66 Issue: Part 3

Year: 2010 Volume: 66 Issue: Part 2

Year: 2010 Volume: 66 Issue: Part 1

Year: 2009 Volume: 65

Year: 2008 Volume: 64

6-[(4-Fluorophenyl)(1H-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol and 6-[(4-methoxyphenyl)(1H-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Andrade, L. C. R. Paixão, J. A. Dealmeida, M. J. M. Neves, M. A. C. Sá E. Melo, M. L.
Description	Country affiliation: Portugal Author Affiliation: Andrade LC ( CEMDRX, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, P-3004-516 Coimbra, Portugal.)
Abstract	The title compounds, C $_{17}H$ $_{13}FN$ $_{2}O$ $_{3}$ and C $_{18}H$ $_{16}N$ $_{2}O$ $_{4},$ are new potent aromatase inhibitors combining the common features of second- and third-generation nonsteroid anti-aromatase compounds. The molecules have a propeller shape, with dihedral angles between adjacent planes in the range 49-86°. A quantum mechanical ab initio Roothaan-Hartree-Fock calculation for the isolated molecules shows values for these angles close to the ideal value of 90°. Docking studies of the molecules in the aromatase substrate show that their strong inhibitor potency can be attributed to molecular flexibility, hydrophobic interactions, heme Fe coordination and hydrogen bonding.
File Format	HTM / HTML
e-ISSN	20532296
Journal	Acta Crystallographica Section C Crystal Structure Communications
Issue Number	Pt 10
Volume Number	66
Language	English
Publisher	IUCr/Wiley
Publisher Date	2010-10-01
Publisher Place	United States
Access Restriction	Open
Subject Keyword	Discipline Analytical Chemistry Discipline Crystallography Aromatase Inhibitors Chemistry Pharmacology Benzodioxoles Imidazoles Crystallography, X-ray Hydrogen Bonding Molecular Structure Quantum Theory Research Support, Non-u.s. Gov't
Content Type	Text
Resource Type	Article

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(Z)-5-[(5-Methyl-1H-imidazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one monohydrate: a three-dimensional hydrogen-bonded framework structure

X-ray and Hydrogen-bonding Properties of 1-((1H-benzotriazol-1-yl)methyl)naphthalen-2-ol

Structural comparison of group 7 tricarbonyl complexes of 2-{[2-(1H-imidazol-4-yl)ethyl]iminomethyl}-5-methylphenolate.

Methyl 2-(4-bromophenyl)-1-(5-tert-butyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboxylate: a hydrogen-bonded chain of edge-fused centrosymmetric rings

3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl]propionic acid and the corresponding methyl ester

Zoledronate complexes. I. $Poly[[_{2}-aqua[_{3}-1-hydroxy-2-(1H,3H-imidazol-3-ium-1-yl)ethylidenediphosphonato]potassium(I)]$ monohydrate]

4-Cyclopropyl-1-(1-methyl-4-nitro-1H-imidazol-5-yl)-1H-1,2,3-triazole and Ethyl 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-1H-1,2,3-triazole-4-carboxylate

2-{5-(1,3-Benzodioxol-5-yl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4,5-dihydro-1H-pyrazol-3-yl}pyrazine

Molecular structures of methyl 4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-1-methyl-1H-pyrazol-5-carboxylate and methyl 4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-1-methyl-1H-pyrazol-3-carboxylate

6-[(4-Fluorophenyl)(1H-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol and 6-[(4-methoxyphenyl)(1H-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol

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