Crystal packing modes of 1-(4′-aryl)-4-nitro-5-methylimidazoles: π-stacking, weak hydrogen bonds and C–Cl⋯O halogen bonds

2004 ◽  
Vol 698 (1-3) ◽  
pp. 67-73 ◽  
Author(s):  
Maciej Kubicki
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Halogen Bonds ◽  
Π Stacking ◽  
Weak Hydrogen Bonds

5-Nitrosalicylaldehyde (2-hydroxybenzoyl)hydrazone

2006 ◽  
Vol 62 (7) ◽  
pp. o3026-o3027 ◽  
Author(s):  
Hong-Mei Xu ◽  
Shi-Xiong Liu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking

The molecule of the title compound, C14H11N3O5, is approximately planar, the dihedral angles between the two aromatic rings being 4.63 (7)°. O—H...N, N—H...O and O—H...O hydrogen bonds and π–π stacking interactions help to consolidate the crystal packing.

11H-Dibenzo[b,e]azepin-6(5H)-one

2006 ◽  
Vol 62 (7) ◽  
pp. o3021-o3022 ◽  
Author(s):  
Qing-Bin Li ◽  
Wei-Chun Yang ◽  
Yong-Jun Han ◽  
Xiao-Jun Zhao
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

In the title compound, C14H14NO, the two benzene rings make a dihedral angle of 60.4 (4)°. The crystal packing is stabilized by intermolecular N—H...O and C—H...O hydrogen bonds and weak π–π stacking, linking the molecules into ladders of dimers.

scholarly journals Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions

2015 ◽  
Vol 11 ◽  
pp. 860-868 ◽  
Author(s):  
Vladimir A Azov ◽  
Diana Janott ◽  
Dirk Schlüter ◽  
Matthias Zeller
Keyword(s):  
Hydrogen Bonds ◽  
Electrochemical Properties ◽  
Crystal Packing ◽  
Coupling Reaction ◽  
Coupling Reactions ◽  
Electronic Nature ◽  
Weak Hydrogen Bonds ◽  
Type Coupling ◽  
Variable Substitution

An Ullmann-type coupling reaction was employed for the preparation of several N-arylated monopyrrolotetrathiafulvalenes with variable substitution patterns. Spectroscopic and electrochemical properties of the coupling products strongly depend on the electronic nature of the aromatic substituents due to their direct conjugation with the tetrathiafulvalene chromophore. The crystal packing of the arylated monopyrrolotetrathiafulvalenes is primarily defined by networks of C–H···X weak hydrogen bonds and short S···S contacts involving the tetrathiafulvalene moieties.

scholarly journals Crystal structures of two bis(iodomethyl)benzene derivatives: similarities and differences in the crystal packing

2015 ◽  
Vol 71 (12) ◽  
pp. 1505-1509
Author(s):  
C. John McAdam ◽  
Lyall R. Hanton ◽  
Stephen C. Moratti ◽  
Jim Simpson
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Stacking Interactions ◽  
Type Ii ◽  
Benzene Derivatives ◽  
Halogen Bonds ◽  
Centroid Distance ◽  
Similarities And Differences

The isomeric derivatives 1,2-bis(iodomethyl)benzene, (I), and 1,3-bis(iodomethyl)benzene (II), both C8H8I2, were prepared by metathesis from their dibromo analogues. Theortho-derivative, (I), lies about a crystallographic twofold axis that bisects the C—C bond between the two iodomethyl substituents. The packing in (I) relies solely on C—H...I hydrogen bonds supported by weak parallel slipped π–π stacking interactions [inter-centroid distance = 4.0569 (11) Å, inter-planar distance = 3.3789 (8) Å and slippage = 2.245 Å]. While C—H...I hydrogen bonds are also found in the packing of (II), type II, I...I halogen bonds [I...I = 3.8662 (2) Å] and C—H...π contacts feature prominently in stabilizing the three-dimensional structure.

(E)-2-Bromo-4,5-dimethoxybenzaldehyde oxime

2006 ◽  
Vol 62 (5) ◽  
pp. o1946-o1947
Author(s):  
Xiang Li ◽  
Da-Min Tian
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C9H10BrNO3, which exists as the E isomer, crystallizes with two independent molecules in the asymmetric unit. The bond lengths and angles in both molecules are normal. The crystal packing is stabilized by intermolecular O—H...O hydrogen bonds, which link the molecules into circular tetramers, and by weak π–π stacking interactions.

Polysulfonylamine, CLXIX. Intermolekulare Wechselwirkungen in kristallinen Di(organosulfonyl)aminen. Teil 1. Di(4-brombenzolsulfonyl)amin: Zwei Konformationspolymorphe und Strukturverwandtschaft eines Polymorphs mit dem entsprechenden 2,4-Dimethylpyridinium-Salz / Polysulfonylamines, CLXIX. Intermolecular Interactions in Crystalline Di(organosulfonyl)- amines. Part 1. Di(4-bromobenzenesulfonyl)amine: Two Conformational Polymorphs and the Structural Relationship of one Polymorph to the Corresponding 2,4-Dimethylpyridinium Salt

2004 ◽  
Vol 59 (6) ◽  
pp. 661-672 ◽  
Author(s):  
Virginia Lozano ◽  
Oliver Moers ◽  
Peter G. Jones ◽  
Armand Blaschette
Keyword(s):  
Hydrogen Bonds ◽  
Mirror Symmetry ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Aromatic Rings ◽  
X Ray ◽  
Π Stacking ◽  
Dimensional Network ◽  
Weak Hydrogen Bonds ◽  
Relationship Of

Two crystal structures (polymorphs) of di(4-bromobenzenesulfonyl)amine (1), as determined by low-temperature single-crystal X-ray diffraction, are reported: Form A, monoclinic, P21/c, Z' = 1; form B: monoclinic, P21/c, Z' = 2. In A, the molecule adopts an extended conformation approximating to C2 symmetry, whereas the two independent molecules of form B display a folded hair-pin conformation with pseudo-mirror symmetry [torsion τ (C-S···S’-C’) and intercentroid distance dIC of the aromatic rings in A: 173.2° and 750.8 pm, in B: −5.4/−8.90° and 364.1/366.5 pm]. The packings of both polymorphs consist of layers, in which the molecules are connected by N-H···O hydrogen bonds in one and by Br···O interactions in the other dimension. The 1:1 onium salt (2; monoclinic, P21/n, Z' = 1) produced on N-deprotonation of 1 with 2,4-dimethylpyridine is structurally related to B. Its packing involves strands of formula units, whereby the anions retain the folded conformation (τ = 5.8°, dIC = 372.5 pm) and perfectly mimic the catemeric Br···O pattern of B, while the cations are isotactically connected to the anion backbone via an N-H(···O)2 three-centre bond. In all structures, a three-dimensional network of weak hydrogen bonds C-H···A (A = O, in 2 also N−) and C-H···Br contacts supports the controlling N-H···O and Br···O interactions; moreover, an intermolecular (π···π) stacking dimer of the type phenyl/phenyl and a (π···π) stacking trimer of the type phenyl/pyridinium/phenyl have been identified in A and 2, respectively. None of the structures exhibits very short bromine-bromine contacts suggestive of specific attractive forces.

Br...O contacts and π–π stacking dominate the packing in methyl 4-bromo-3,5-dimethoxybenzoate

2013 ◽  
Vol 69 (7) ◽  
pp. 790-793 ◽  
Author(s):  
Aamer Saeed ◽  
Muhammad Qasim ◽  
Jim Simpson
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Planar Molecules ◽  
Π Stacking Interaction

The title compound, C10H11BrO4, a useful precursor to pharmaceutically active isocoumarin and isochroman derivatives, crystallizes with two unique molecules in the asymmetric unit. A π–π stacking interaction links the planar molecules in the asymmetric unit. Additional π–π contacts stack pairs of molecules along thecaxis. A feature of the crystal packing is the presence of a number of short Br...O contacts. A particularly unusual arrangement involves the formation of dimers, with pairs of Br...O contacts imposing a close Br...Br interaction and generating five-membered rings within an eight-membered ring formed by two Br...O contacts. Only two comparable arrangements have been reported previously. The Br...O contacts combine with weak C—H...O hydrogen bonds to form corrugated sheets of molecules approximately parallel to (001). These sheets are stacked along thecaxis by π–π interactions to generate a three-dimensional network.

scholarly journals 6,7-Dichloro-3-(2,4-dichlorobenzyl)quinoxalin-2(1H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2481-o2481
Author(s):  
Jinpeng Zhang ◽  
Yinan Wang ◽  
Qian Wang ◽  
Lichun Xu
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Stacking Interactions ◽  
Pyrazine Ring ◽  
Compound C ◽  
Π Stacking ◽  
Quinoxaline Ring

In the title compound, C15H8Cl4N2O, the quinoxaline ring system is almost planar, with a dihedral angle between the benzene and pyrazine rings of 3.1 (2)°. The 2,4-dichlorophenyl ring is approximately perpendicular to the pyrazine ring, with a dihedral angle of 86.47 (13)° between them. The crystal packing features intermolecular N—H...O hydrogen bonds and π–π stacking interactions, with centroid–centroid distances in the range 3.699 (3)–4.054 (3) Å.

scholarly journals On the significance of weak hydrogen bonds in crystal packing: a large databank comparison of polymorphic structures

CrystEngComm ◽  
2018 ◽  
Vol 20 (39) ◽  
pp. 5976-5989 ◽  
Author(s):  
Leonardo Lo Presti
Keyword(s):  
Molecular Recognition ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Supramolecular Assemblies ◽  
Weak Hydrogen Bonds

Weak hydrogen bonds control initial molecular recognition modes, but the structure is determined by the interactions among larger supramolecular assemblies.

scholarly journals Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II)

IUCrData ◽  
2020 ◽  
Vol 5 (3) ◽  
Author(s):  
Niels Ole Giltzau ◽  
Martin Köckerling
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Coulombic Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Weak Hydrogen Bonds ◽  
Type C

The title compound, (C15H23N2)2[MnBr4], comprises two N-adamantyl-N′-ethylimidazolium cations and one tetrahedral [MnBr4]2− anion. Next to Coulombic interactions, weak hydrogen bonds of the type C—H...Br consolidate the crystal packing, building up a three-dimensional network.

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