scholarly journals Crystal structure and fluorescence study of (μ-N-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-N-{4-[(3,5-dimethyl-1H-pyrrol-2-yl)methylideneazaniumyl]phenyl}azanium)bis[difluoridoboron(IV)]

2021 ◽  
Vol 77 (2) ◽  
pp. 126-129
Author(s):  
Xiaoxue Liu ◽  
Tuo Li ◽  
Zhenming Yin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Boron Atom ◽  
Title Compound ◽  
Fluorescence Spectra ◽  
Symmetry Plane ◽  
Fluorescence Study ◽  
Planar Conformation ◽  
Title Molecule ◽  
Pillar Structure

The title molecule, C20H20B2F4N4, assumes a planar conformation with all atoms apart from the F atoms lying on the symmetry plane. Each boron atom is four-coordinated by two fluorine atoms, a pyrrole N atom and an imine N atom. Both imine CH=N groups adopt a trans conformation. In the crystal, the molecules self-assemble into a pillar structure through C—H...F hydrogen bonds and π–π interactions. The UV–vis spectrum and fluorescence spectra of the title compound are also reported.

scholarly journals Crystal structure of chlorido(5,10,15,20-tetraphenylporphyrinato-κ4N)manganese(III) 2-aminopyridine disolvate

2015 ◽  
Vol 71 (2) ◽  
pp. 165-167 ◽  
Author(s):  
Wafa Harhouri ◽  
Salma Dhifaoui ◽  
Shabir Najmudin ◽  
Cecilia Bonifácio ◽  
Habib Nasri
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Axial Ligand ◽  
Pyramidal Geometry ◽  
Porphyrin Macrocycle ◽  
Planar Conformation ◽  
Solvent Molecules ◽  
Square Pyramidal Geometry

In the title compound, [Mn(C44H28N4)Cl]·2C5H6N2, the MnIIIcentre is coordinated by four pyrrole N atoms [averaged Mn—N = 2.012 (4) Å] of the tetraphenylporphyrin molecule and one chloride axial ligand [Mn—Cl = 2.4315 (7) Å] in a square-pyramidal geometry. The porphyrin macrocycle exhibits a non-planar conformation with majorrufflingandsaddlingdistortions. In the crystal, two independent solvent molecules form dimers through N—H...N hydrogen bonding. In these dimers, one amino N atom has a short Mn...N contact of 2.642 (1) Å thus completing the Mn environment in the form of a distorted octahedron, and another amino atom generates weak N—H...Cl hydrogen bonds, which link further all molecules into chains along theaaxis.

scholarly journals Crystal structure of 2-(4-fluoro-3-methylphenyl)-5-{[(naphthalen-1-yl)oxy]methyl}-1,3,4-oxadiazole

2015 ◽  
Vol 71 (4) ◽  
pp. o229-o230
Author(s):  
Muniyappan Govindhan ◽  
Kathavarayan Subramanian ◽  
Vijayan Viswanathan ◽  
Devadasan Velmurugan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C ◽  
Planar Conformation

The title compound, C20H15FN2O2, adopts an almost planar conformation. The oxadiazole ring makes dihedral angles of 13.90 (1) and 7.93 (1)° with the naphthalene ring system and benzene ring, respectively, while the naphthalene ring system and benzene ring are inclined to one another by 6.35 (1)°. In the crystal, adjacent molecules are linkedviaC—H...N hydrogen bonds, forming chains propagating along [100]. There are also π–π interactions present [intercentroid distances = 3.5754 (9) and 3.7191 (12) Å], linking the chains to form ribbons lying parallel to (011).

scholarly journals Crystal structure of an aryl cyclohexyl nonanoid, an antiproliferative molecule isolated from the spiceMyristica malabarica

2016 ◽  
Vol 72 (10) ◽  
pp. 1408-1411 ◽  
Author(s):  
Ajoy Kumar Bauri ◽  
Sabine Foro ◽  
Nhu Quynh Nguyen Do
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
One Dimensional ◽  
Compound C ◽  
Planar Conformation ◽  
Ribbon Structures ◽  
Hydroxy Groups

The title compound, C21H26O5, an aryl cyclohexyl nonanoid {systematic name: 3,5-dihydroxy-2-[9-(4-hydroxyphenyl)nonanoyl]cyclohexa-2,4-dien-1-one}, extracted from the spice plantMyristica malabaricacomprises two ring components, a 4-hydroxyphenyl moiety and a 3,5-dihydroxycyclohexa-2,4-dienone moiety linked by a nonanoyl chain. The molecule has an extended essentially planar conformation stabilized by an intramolecular hydroxy O—H...Ocarbonylhydrogen bond, giving a dihedral angle between the two ring systems of 6.37 (15)°. The C, O and H atoms associated with one of the hydroxy groups of the cyclohexadienone component are disordered over two sets of sites with site occupancies of 0.6972 and 0.3028. In the crystal, hydroxy O—H...O hydrogen bonds to carbonyl O-atom acceptors form large centrosymmetricR22(36) cyclic dimers, which are further extended into supramolecular one-dimensional ribbon structures along [1-11].

scholarly journals Crystal structure of (Z)-2-hydroxy-N′-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide

2014 ◽  
Vol 70 (11) ◽  
pp. o1167-o1167 ◽  
Author(s):  
Ya Zhang ◽  
Peijuan Li ◽  
Xin Fan ◽  
Longfei Jin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C ◽  
Planar Conformation

In the title compound, C10H9N3O3S, the five-membered ring adopts a slightly twisted conformation about the Cm—S (m = methylene) bond. The dihedral angle between this ring and the benzene ring is 7.99 (9)°. A bifurcated intramolecular N—H...(O,S) hydrogen bond helps to establish the near planar conformation of the molecule. In the crystal, molecules are linked by N—H...O and O—H...O hydrogen bonds to generate (001) sheets.

scholarly journals Crystal structure of (2E)-1-(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one

2015 ◽  
Vol 71 (4) ◽  
pp. 424-426
Author(s):  
Peter Mangwala Kimpende ◽  
Ngoc Thanh Nguyen ◽  
Minh Thao Nguyen ◽  
Quoc Trung Vu ◽  
Luc Van Meervelt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Planar Conformation ◽  
The Mean

In the title compound, C20H17NO5, the dihedral angle between the mean plane of the dihydroquinoline ring system (r.m.s. deviation = 0.003 Å) and the benzene ring is 1.83 (11)°. The almost planar conformation is a consequence of an intramolecular O—H...O hydrogen bond and theEconfiguration about the central C=C bond. In the crystal structure, O—H...O hydrogen bonds generate chains of molecules along the [10-1] direction. These chains are linkedviaπ–π interactions [inter-centroid distances are in the range 3.6410 (16)–3.8663 (17) Å].

scholarly journals N-(3-Bromo-2-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

2012 ◽  
Vol 68 (4) ◽  
pp. o1134-o1134 ◽  
Author(s):  
Yun-Hua Xu ◽  
Sihui Long
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Amide Group ◽  
Compound C ◽  
Planar Conformation

The title compound, C13H11BrN2O2, consists of two six-membered rings linked by an amide group and adopts a near planar conformation. The dihedral angle between the two rings is 8.38 (11)°. In the crystal structure, there are intra- and intermolecular N—H...O hydrogen bonds, the latter forming inversion dimers.

N-Benzoyl-N′-(tert-butylaminocarbonyl)thiourea

2006 ◽  
Vol 62 (7) ◽  
pp. o2700-o2701 ◽  
Author(s):  
Chuan-Wen Sun ◽  
Xiao-Dong Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Planar Conformation

The asymmetric unit of the title compound, C13H17N3O2, contains two molecules and neither of them adopts a planar conformation. The crystal structure is stabilized by the intermolecular N—H...O and intramolecular N—H...O and N—H...S hydrogen bonds. The intermolecular hydrogen bonds link the molecules to form infinite chains along the b axis.

scholarly journals Ethyl 4-oxo-1,4-dihydropyridine-3-carboxylate

IUCrData ◽  
2021 ◽  
Vol 6 (6) ◽  
Author(s):  
Jun Gao ◽  
Sihui Long
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
One Dimensional ◽  
Axis Direction ◽  
Compound C ◽  
Planar Conformation ◽  
Dihydropyridine Ring

The title compound, C8H9NO3, likely generated through hydrolysis and esterification of 3′-carboxy-3-methyl-(1,4′-bipyridin)-1-ium chloride by ethanol, which contained water, has a nearly planar conformation. The crystal structure is sustained by one-dimensional chains along the a-axis direction based on bifurcated N—H...(O,O) hydrogen bonds between the NH group of the 4-oxo-1,4-dihydropyridine ring and the two carbonyl O atoms.

scholarly journals (3S,5R,6S)-Diphenylmethyl 1-oxo-6-bromopenicillanate

IUCrData ◽  
2020 ◽  
Vol 5 (2) ◽  
Author(s):  
Krishnan Soundararajan ◽  
Velusamy Sethuraman ◽  
Kaliyaperumal Thanigaimani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Envelope Conformation ◽  
Compound C ◽  
Planar Conformation ◽  
Thiazolidine Ring ◽  
Lactamase Inhibitor

In the title compound, C21H20BrNO4S, a key intermediate in the synthesis of the widely used β-lactamase inhibitor tazobactam, the five-membered thiazolidine ring adopts an envelope conformation and the four-membered azetidine ring is in a distorted planar conformation. The crystal structure features C—H...O hydrogen bonds and a weak C—H...π interaction.

Synthesis, Crystal Structure And Spectroscopic Studies Of A Mixed Ligand Copper (Ii) Complex: Trans-Bis(Succinimidato)-Bis(Benzylamino)Cu(Ii)

2006 ◽  
Vol 61 (8) ◽  
pp. 979-982 ◽  
Author(s):  
Murat Taş ◽  
Hanife Saraçoğlu ◽  
Hümeyra Bati ◽  
Nezihe Çalışkan ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Spectroscopic Studies ◽  
Mixed Ligand ◽  
Interplanar Angle ◽  
Space Group ◽  
Square Planar

The molecules of the title compound, [Cu(C11H13N2O2)2], lie across centres of inversion in space group P21/c and are linked by intermolecular N-H···O and C-H···O hydrogen bonds. The central Cu atom has a slightly distorted square-planar coordination comprised of four N atoms. Cu-N bond distances are 1.975(2) and 2.020(2) Å . The interplanar angle between the phenyl and succinimidato ring is 87.34(10)°

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