scholarly journals Synthesis, crystal structure, and non-covalent interactions in ethyl 4-hydrazinobenzoate hydrochloride

2019 ◽  
Vol 1177 ◽  
pp. 363-370 ◽  
Author(s):  
Jelem Restrepo ◽  
Christopher Glidewell ◽  
Néstor Cubillán ◽  
Ysaias Alvarado ◽  
Necmi Dege ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Non Covalent Interactions ◽  
Covalent Interactions

scholarly journals Quinine dihydrochloride hemihydrate

IUCrData ◽  
2021 ◽  
Vol 6 (4) ◽  
Author(s):  
Grace I. Anderson ◽  
Sophia Bellia ◽  
Matthias Zeller ◽  
Patrick C. Hillesheim ◽  
Arsalan Mirjafari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Double Bond ◽  
Long Range ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Hydrogen Atoms ◽  
Non Covalent Interactions ◽  
Long Range Ordering ◽  
Covalent Interactions

Numerous non-covalent interactions link together discrete molecules in the crystal structure of the title compound, 2C20H26N2O2 2+·4Cl−·H2O {systematic name: 4-[(5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)(hydroxy)methyl]-6-methoxyquinolin-1-ium dichloride hemihydrate}. A combination of hydrogen bonding between acidic H atoms and the anions in the asymmetric unit forms a portion of the observed hydrogen-bonded network. π–π interactions between the aromatic portions of the cation appear to play a role in the formation of the long-range ordering. One ethylene double bond was found to be disordered. The disorder extends to the neighboring carbon and hydrogen atoms.

Synthesis, Crystal Structure and Non-covalent Interactions Analysis of Novel N-substituted Thiosemicarbazone

2019 ◽  
Vol 35 (3) ◽  
pp. 471-477 ◽  
Author(s):  
Xing Zhang ◽  
Jie Huang ◽  
Yu Zhang ◽  
Fan Qi ◽  
Sifan Wang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks

CrystEngComm ◽  
2019 ◽  
Vol 21 (20) ◽  
pp. 3151-3157 ◽  
Author(s):  
Sarah N. Johnson ◽  
Thomas L. Ellington ◽  
Duong T. Ngo ◽  
Jorge L. Nevarez ◽  
Nicholas Sparks ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Density Functional ◽  
Building Blocks ◽  
Molecular Assembly ◽  
Functional Theory ◽  
X Ray ◽  
X Ray Crystallography ◽  
Non Covalent Interactions ◽  
Density Functional Theory Computations ◽  
Covalent Interactions

One co-crystal structure characterized to identify and quantify various non-covalent interactions with spectroscopy, X-ray crystallography and density functional theory computations.

scholarly journals Crystal Structure of a Human Single Domain Antibody Dimer Formed through VH-VH Non-Covalent Interactions

PLoS ONE ◽  
2012 ◽  
Vol 7 (1) ◽  
pp. e30149 ◽  
Author(s):  
Toya Nath Baral ◽  
Shi-Yu Chao ◽  
Shenghua Li ◽  
Jamshid Tanha ◽  
Mehdi Arbabi-Ghahroudi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Domain ◽  
Single Domain Antibody ◽  
Domain Antibody ◽  
Non Covalent Interactions ◽  
Covalent Interactions

scholarly journals Crystal structures ofp-substituted derivatives of 2,6-dimethylbromobenzene with ½ ≤Z′ ≤ 4

2016 ◽  
Vol 72 (12) ◽  
pp. 1762-1767
Author(s):  
Angélica Navarrete Guitérrez ◽  
Gerardo Aguirre Hernández ◽  
Sylvain Bernès
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Functional Group ◽  
Molecular Symmetry ◽  
Asymmetric Unit ◽  
Structure Feature ◽  
Non Covalent Interactions ◽  
Derivatives Of ◽  
Covalent Interactions

The crystal structures of four bromoarenes based on 2,6-dimethylbromobenzene are reported, which are differentiated according the functional groupXplacedparato the Br atom:X= CN (4-bromo-3,5-dimethylbenzonitrile, C9H8BrN), (1),X= NO2(2-bromo-1,3-dimethyl-5-nitrobenzene, C8H8BrNO2), (2),X= NH2(4-bromo-3,5-dimethylaniline, C8H10BrN), (3) andX= OH (4-bromo-3,5-dimethylphenol, C8H9BrO), (4). The content of the asymmetric unit is different in each crystal,Z′ = ½ (X= CN),Z′ = 1 (X= NO2),Z′ = 2 (X= NH2), andZ′ = 4 (X= OH), and is related to the molecular symmetry and the propensity ofXto be involved in hydrogen bonding. In none of the studied compounds does the crystal structure feature other non-covalent interactions, such as π–π, C—H...π or C—Br...Br contacts.

scholarly journals Crystal structure of dibromidobis(1,3-dibenzyl-1,3-diazinan-2-one-κO)cobalt(II)

2015 ◽  
Vol 71 (9) ◽  
pp. m160-m161
Author(s):  
Eduard Rais ◽  
Ulrich Flörke ◽  
René Wilhelm
Keyword(s):  
Crystal Structure ◽  
Rotation Axis ◽  
Title Complex ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Non Covalent Interactions ◽  
Van Der Waals Radii ◽  
Covalent Interactions ◽  
Axis Passing

The unit cell of the title complex, [CoBr2(C18H20N2O)2], contains 1.5 formula units per asymmetric unit with one molecule sitting on a general site and a second one halved by a crystallographic twofold rotation axis passing through the CoIIcation. Both CoIIatoms are coordinated in a distorted tetrahedral manner by two Br−ligands and two O atoms of the pyrimidinone (OPyr) groups. The Br—Co—Br coordination angles are similar [115.46 (4) and 115.20 (5)°], while the O—Co—O angles differ slightly more [102.26 (18) and 98.1 (2)°]. Similarly, the Co—Br bond lengths are almost identical [2.3721 (9), 2.3757 (10) and 2.3809 (10) Å], with a larger difference between the Co—O bond lengths [1.929 (4), 1.926 (4) and 1.955 (4) Å]. The three independent OPyr groups present envelope conformations, with three C and two N atoms lying in well defined planes with maximum deviations from the least-squares planes of 0.047, 0.031 and 0.036 Å, and the external-most C atoms protruding by 0.654 (6), 0.643 (7) and 0.656 (6) Å out of the planes. The dihedral angles between the planar fractions of the OPyr planes are 50.5 (1)° for the nonsymmetric molecule and 49.7 (1)° for the symmetric one. Non-covalent interactions are of the C—H...Br type and they are weak, hardly shorter than van der Waals radii, with an H...Br distance range of 3.00–3.04 Å. The intermolecular interactions define chains parallel to [101].

Non-covalent interactions with inverted carbon: a carbo-hydrogen bond or a new type of hydrogen bond?

2020 ◽  
Vol 22 (16) ◽  
pp. 8988-8997 ◽  
Author(s):  
Juhi Dutta ◽  
Dipak Kumar Sahoo ◽  
Subhrakant Jena ◽  
Kiran Devi Tulsiyan ◽  
Himansu S. Biswal
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Quantum Chemical Calculations ◽  
Structure Analysis ◽  
Quantum Chemical ◽  
Crystal Structure Analysis ◽  
Covalent Interaction ◽  
New Type ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Crystal structure analysis and quantum chemical calculations enabled us to discover a new non-covalent interaction, coined as carbo-hydrogen bond (CH-bond).

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