Synthesis and Crystal Structure of N-[(15,4R)-2-Oxo-pinanyl]-β-alanine Methylester

1998 ◽  
Vol 53 (10) ◽  
pp. 1188-1190 ◽  
Author(s):  
Barbara Albert ◽  
Martin Jansen ◽  
Jörg Jakobi ◽  
Eberhard Steckhan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Amino Acid ◽  
Title Compound ◽  
Amino Acid Derivatives ◽  
Hydrogen Bonding Interaction ◽  
Electrochemical Preparation ◽  
Synthesis And Crystal Structure ◽  
Bonding Interaction ◽  
Amine Function

AbstractThe title compound, N-[(lS,4R)-2-oxo-pinanyl]-β-alanine methylester, is an important starting material for the electrochemical preparation of chiral amidoalkylation reagents in the synthesis of chiral β-substituted β-amino acid derivatives. The investigation of its crystal structure reveals an arrangement of the carbonyl group and the amine function, which is influenced by a hydrogen bonding interaction. This conformation makes the molecule especially appropriate for further synthetical modification

scholarly journals 2-[(E)-(2-Aminophenyl)iminomethyl]-5-(dimethylamino)phenol

2009 ◽  
Vol 65 (6) ◽  
pp. o1232-o1232
Author(s):  
Yan-Hong Yu ◽  
Kun Qian
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Double Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Hydrogen Bonding Interaction ◽  
Compound C ◽  
Bonding Interaction ◽  
Benzene Rings

The molecule of the title compound, C17H21N3O, displays atransconfiguration with respect to the C=N double bond. The dihedral angle between the planes of the two benzene rings is 50.96 (11)° and a strong intramolecular O—H...N hydrogen bond is present. An intermolecular N—H...O hydrogen-bonding interaction stabilizes the crystal structure.

scholarly journals 4′-[2-(2-Ethoxyethoxy)ethoxy]biphenyl-4-carboxylic acid: correlation between its crystalline and smectic phases

2009 ◽  
Vol 65 (3) ◽  
pp. o81-o84 ◽  
Author(s):  
Rosana S. Montani ◽  
Raúl O. Garay ◽  
Fabio D. Cukiernik ◽  
Maria T. Garland ◽  
Ricardo Baggio
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Title Compound ◽  
Carboxyl Groups ◽  
Hydrogen Bonding Interaction ◽  
Compound C ◽  
Smectic Phases ◽  
Bonding Interaction ◽  
Smectic Mesophase

The crystal structure of the dimeric title compound, C19H22O5, is dominated by a head-to-head hydrogen-bonding interaction between centrosymmetrically related carboxyl groups in each monomer. The result is a dimeric axis of unusual length (ca34 Å), but still shorter than what could be expected for a fully extended chain, owing to two turning points in the oligoethoxy ends. This allows for an explanation of the structure of the smectic mesophase exhibited by this compound and at the same time fully validates former geometric estimations based on PM3 calculations.

scholarly journals Crystal structure of 4-methyl-N-{[1-(4-methylbenzoyl)piperidin-4-yl]methyl}benzamide

2014 ◽  
Vol 70 (11) ◽  
pp. o1157-o1157
Author(s):  
K. Prathebha ◽  
D. Reuben Jonathan ◽  
S. Sathya ◽  
R. Vasanthi ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Hydrogen Bonding Interaction ◽  
Compound C ◽  
Bonding Interaction ◽  
Benzene Rings

In the title compound, C22H27N2O2, the piperidine ring adopts a half-chair conformation with the benzene rings inclined in atransorientation with respect to the piperidine ring [dihedral angle between the benzene rings = 89.1 (1)°]. In the crystal, a three-centre asymmetric N—H...O/C—H...O hydrogen-bonding interaction leads to the formation of chains extending along thea-axis direction.

Hydrogen-bonding interaction in a complex of amino acid with urea studied by DFT calculations

2009 ◽  
Vol 20 (2) ◽  
pp. 213-220 ◽  
Author(s):  
Yu-Ping Sun ◽  
Xiao-Hui Ren ◽  
Hai-Jun Wang ◽  
Yan-Yan Shan ◽  
Li-Juan Xing
Keyword(s):  
Hydrogen Bonding ◽  
Amino Acid ◽  
Dft Calculations ◽  
Hydrogen Bonding Interaction ◽  
Bonding Interaction

scholarly journals (Z)-2-(5-Chloro-2-oxoindolin-3-ylidene)-N-methylhydrazinecarbothioamide

2012 ◽  
Vol 68 (4) ◽  
pp. o964-o965 ◽  
Author(s):  
Amna Qasem Ali ◽  
Naser Eltaher Eltayeb ◽  
Siang Guan Teoh ◽  
Abdussalam Salhin ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Hydrogen Bonding Interaction ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Bonding Interaction ◽  
A Chain ◽  
Graph Sets

In the title compound, C10H9ClN4OS, an intramolecular N—H...O hydrogen-bonding interaction and an N—H...N interaction generate ring motifs [graph setsS(6) andS(5), respectively]. In the crystal, molecules form a chain through N—H...O hydrogen bonds, and these are extended by N—H...S hydrogen-bonding interactions into an infinite three-dimensional network. The crystal structure also exhibits weak C—H...π interactions.

scholarly journals Crystal structure of 1-ethyl-3-(2-oxo-1,3-dithiol-4-yl)quinoxalin-2(1H)-one

2018 ◽  
Vol 74 (7) ◽  
pp. 901-904 ◽  
Author(s):  
Nicolas Chrysochos ◽  
Carola Schulzke
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Functional Group ◽  
Three Dimensional ◽  
Monoclinic Space Group ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Bonding Interaction ◽  
Weak Hydrogen Bonds

The title compound I, C13H10N2O2S2, crystallizes in the monoclinic space group C2/c with eight molecules in the unit cell. Excluding for the ethyl substituent, the molecule of I adopts a nearly coplanar conformation (r.m.s. deviations is 0.058 Å), which is supported by the intramolecular C—H...O hydrogen-bonding interaction between the two ring systems [C...O = 2.859 (3) Å]. In the crystal, the molecules form dimeric associates via two bifurcated C—H...O hydrogen-bonding interactions between an ene hydrogen atom and a carbonyl functional group of an adjacent molecule [C...O = 3.133 (3) Å] and vice versa. The crystal structure is further stabilized by a three-dimensional network of weak hydrogen bonds between one molecule and six adjacent molecules as well as offset π–π stacking. The combination of the quinoxaline 2(1H)-one moiety with the dithiocarbonate moiety extends the aromaticity of the quinoxaline scaffold towards the substituent as well as influencing the π-system of the quinoxaline. The title compound is the direct precursor for a dithiolene ligand mimicking the natural cofactor ligand molybdopterin.

Hydrogen bonding interaction of diphenylbarbituric acid and 9-ethyladenine. Crystal structure of a 1:1 comple×

2000 ◽  
Vol 78 (8) ◽  
pp. 1045-1051 ◽  
Author(s):  
Arthur Camerman ◽  
Donald Mastropaolo ◽  
Andrew Hempel ◽  
Norman Camerman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonding Interaction ◽  
Bonding Interaction

8-(2-Phenylethylamino)quinoline

2000 ◽  
Vol 57 (1) ◽  
pp. o4-o5
Author(s):  
Daniel E. Lynch ◽  
Ian McClenaghan
Keyword(s):  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Hydrogen Bonding Interaction ◽  
Ring Systems ◽  
Compound C ◽  
Bonding Interaction

The structure of the title compound, C17H16N2, (I), comprises twisted molecules that contain a single intramolecular N—H...N hydrogen-bonding interaction. The dihedral angle between the two ring systems is 65.72 (4)°.

scholarly journals Crystal structure of morpholin-4-ium cinnamate

2015 ◽  
Vol 71 (11) ◽  
pp. o850-o851 ◽  
Author(s):  
Graham Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Cinnamic Acid ◽  
Torsion Angle ◽  
Chain Structure ◽  
Side Chain ◽  
Hydrogen Bonding Interaction ◽  
Bonding Interaction ◽  
A Chain

In the anhydrous salt formed from the reaction of morpholine with cinnamic acid, C4H10NO+·C9H7O2−, the acid side chain in thetrans-cinnamate anion is significantly rotated out of the benzene plane [C—C—C— C torsion angle = 158.54 (17)°]. In the crystal, one of the the aminium H atoms is involved in an asymmetric three-centre cation–anion N—H...(O,O′)R12(4) hydrogen-bonding interaction with the two carboxylate O-atom acceptors of the anion. The second aminium-H atom forms an inter-species N—H...Ocarboxylatehydrogen bond. The result of the hydrogen bonding is the formation of a chain structure extending along [100]. Chains are linked by C—H...O interactions, forming a supramolecular layer parallel to (01-1).

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