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).

scholarly journals Various types of non-covalent interactions contributing towards crystal packing of halogenated diphospha-dicarbaborane with an open pentagonal belt

2018 ◽  
Vol 42 (13) ◽  
pp. 10481-10483 ◽  
Author(s):  
Josef Holub ◽  
Zdeňka Růžičková ◽  
Pavel Hobza ◽  
Jindřich Fanfrlík ◽  
Drahomír Hnyk ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Crystal Packing ◽  
Non Covalent Interactions ◽  
Covalent Interactions

We have synthesized and crystalized 3-Cl-10-I-nido-7,8,9,11-P2C2B7H7. Quantum chemical calculations have demonstrated that the obtained crystal structure is stabilized by hydrogen, dihydrogen and pnictogen bonds.

Crystal Structure Analysis and Topological Study of Non-covalent Interactions in 2,2-Biimidazole:Salicylic Acid 2:1 Co-crystal

2017 ◽  
Vol 47 (1-2) ◽  
pp. 47-58 ◽  
Author(s):  
Julia Bruno-Colmenarez ◽  
Reinaldo Atencio ◽  
Marinel Quintero ◽  
Luis Seijas ◽  
Rafael Almeida ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Crystal Structure Analysis ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Cyclisierung von Amidoximen mit Oxybis(diphenylboran) / Cyclization of Amidoximes with Oxybis(diphenylborane)

1991 ◽  
Vol 46 (9) ◽  
pp. 1219-1222 ◽  
Author(s):  
Hans Möhrle ◽  
Karin Bluhme-Hensen ◽  
Birgit Middelhauve ◽  
Dietrich Mootz ◽  
Hartmut Wunderlich
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Structure Analysis ◽  
Heterocyclic Ring ◽  
Crystal Structure Analysis ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Bifurcated Hydrogen Bond ◽  
Boron Heterocycles

Substituted amidoximes when reacted with oxybis(diphenylborane) do not yield ester chelates as main products but boron heterocycles. The compound obtained from p-toluamidoxime was found by crystal structure analysis to be 2-phenyl-4-(4-methylphenyl)-2,3-dihydro-1,3,5,2-oxadiazaborol (9). The conformation of the molecule is determined by angles of 29.1 and 24.4° between the planes of adjacent rings. Except N–O all bonds in the heterocyclic ring contain significant π character. Molecules are linked to chains by a weak bifurcated hydrogen bond. 9 crystallizes with the monoclinic space group P21/c, Ζ = 4, a = 5.574(2), b = 18.274(4), c = 12.754(4) Å, β = 106.41(2)°. Refinement of 227 parameters using 1709 observed reflections converged at R = 0.037.

Regioselective N-Acetylation of 4-(2-Hydroxyphenyl)-2-phenyl-2,3- dihydro-1H-1,5-benzodiazepine Using Protection by an Intramolecular Hydrogen Bond

2009 ◽  
Vol 64 (8) ◽  
pp. 969-972 ◽  
Author(s):  
Carlos A. Escobar ◽  
Jorge Orellana-Vera ◽  
Andrés Vega ◽  
Dieter Sicker ◽  
Joachim Sieler
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Acetic Anhydride ◽  
Ambient Temperature ◽  
Intramolecular Hydrogen Bond ◽  
Structure Analysis ◽  
Crystal Structure Analysis ◽  
Hydroxyl Groups ◽  
Acetyl Group ◽  
Intramolecular Hydrogen

Since the amino and the hydroxyl groups of 4-(2-hydroxyphenyl)-2-phenyl-2,3-dihydro-1H-1,5- benzodiazepine can both act as nucleophiles, the introduction of both an N-acetyl and an O-acetyl group is expected when the compound is allowed to react with an excess of an electrophile such as acetic anhydride. An intramolecular hydrogen bond between OH and N-5 of the benzodiazepine has been used to obtain differentiation between the two possible sites of acetylation. Thus, this feature offers a preparatively utilizable protecting effect for the OH group and allows for a regioselective N-acetylation at ambient temperature. Both mono- and diacetylated compounds were prepared and characterized by crystal structure analysis

N-(acridin-9-yl)arenesulfonamides: Synthesis, quantum chemical studies and crystal structure analysis to establish the tautomeric preferences

Tetrahedron ◽  
2018 ◽  
Vol 74 (27) ◽  
pp. 3634-3641 ◽  
Author(s):  
Sumit S. Chourasiya ◽  
Aabid A. Wani ◽  
C.M. Nagaraja ◽  
Asit K. Chakraborti ◽  
Prasad V. Bharatam
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Quantum Chemical ◽  
Crystal Structure Analysis ◽  
Chemical Studies ◽  
Quantum Chemical Studies
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