scholarly journals (2Z)-2-Bromo-3-[3,5-dibromo-4-(ethylamino)phenyl]-1-(2,4-dichlorophenyl)prop-2-en-1-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4308-o4309 ◽  
Author(s):  
Ray J. Butcher ◽  
Jerry P. Jasinski ◽  
Anil N. Mayekar ◽  
B. Narayana ◽  
H. S. Yathirajan
Keyword(s):  
Hydrogen Bond ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Phenyl Group ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Propyl Ketone ◽  
Phenyl Rings ◽  
The Mean ◽  
Intramolecular Hydrogen

In the title compound, C17H12Br3Cl2NO, the mean planes of the 3,5-dibromo-4-phenyl and 2,4-dichlorophenyl groups make a dihedral angle of 72.4 (2)°. The dihedral angles between the 2-bromoprop-2-en-1-one group and the two phenyl ring groups (3,5-dibromo-4-phenyl and 2,4-dichlorophenyl) are 71.1 (1) and 10.9 (4)°, respectively. The crystal packing is stabilized by intermolecular N—H...O hydrogen-bond interactions between the ethylamino H atom and the propyl ketone O atom, with the 3,5-dibromo-4-phenyl rings linked in chains in an alternate inverted pattern parallel and oblique to the ac face and diagonally along the a axis of the unit cell. An intramolecular hydrogen bond between the ethyl amino H atom and the 5-Br atom from the 3,5-dibromo-4-phenyl group helps stabilize the molecular conformation.

scholarly journals Relative substituent orientation in the structure ofcis-3-chloro-1,3-dimethyl-N-(4-nitrophenyl)-2-oxocyclopentane-1-carboxamide

2014 ◽  
Vol 70 (9) ◽  
pp. 121-123
Author(s):  
Matthias Zeller ◽  
Jonas Warneke ◽  
Vladimir Azov
Keyword(s):  
Hydrogen Bond ◽  
Crystal Packing ◽  
Membered Ring ◽  
Amide Group ◽  
Aromatic Rings ◽  
Methyl Group ◽  
Compound C ◽  
The Mean ◽  
Graph Set ◽  
Intramolecular Hydrogen

The structure of the title compound, C14H15ClN2O4, prepared by reaction of a methacryloyl dimer with nitroaniline, was determined to establish the relative substituent orientation on the cyclopentanone ring. In agreement with an earlier proposed reaction mechanism, the amide group and the methyl group adjacent to the chloro substituent adopt equatorial positions and relativecisorientation, whereas the Cl substituent itself and the methyl group adjacent to the amide have axial orientations relative to the mean plane of the five-membered ring. The conformation of the molecule is stabilized by one classical N—H...O (2.18 Å) and one non-classical C—H...O (2.23 Å) hydrogen bond, each possessing anS(6) graph-set motif. The crystal packing is defined by several non-classical intramolecular hydrogen bonds, as well as by partial stacking of the aromatic rings.

scholarly journals Crystal structure of (E)-2-(tert-butylamino)-4-(tert-butylimino)naphthalen-1(4H)-one

2018 ◽  
Vol 74 (7) ◽  
pp. 973-976 ◽  
Author(s):  
Guy Lamoureux ◽  
Mónica Alvarado-Rojas ◽  
Leslie W. Pineda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carbonyl Group ◽  
Title Compound ◽  
Tautomeric Form ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Van Der Waals Interactions ◽  
Compound C ◽  
Intramolecular Hydrogen

The title compound, C18H24N2O, is the first example of a naphthoquinone imine derivative isolated in the 4-imine/2-amine tautomeric form having bulky alkyl substituents at the N atoms. The molecular conformation is stabilized by an intramolecular hydrogen bond between the amine and a carbonyl group and by London attraction between the two tert-butyl groups. Only van der Waals interactions were identified in the crystal packing.

scholarly journals Crystal structure of methyl (2Z)-2-{[N-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methoxyphenyl)prop-2-enoate

2015 ◽  
Vol 71 (12) ◽  
pp. o1088-o1089
Author(s):  
Ankur Trigunait ◽  
Kannan Damodharan ◽  
Bakthadoss Manickam ◽  
Gunasekaran Krishnasamy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C26H25NO6S, the S atom shows a distorted tetrahedral geometry, with O—S—O [119.46 (9)°] and N—S—C [107.16 (7)°] angles deviating from ideal tetrahedral values, a fact attributed to the Thorpe–Ingold effect. The sulfonyl-bound phenyl ring forms dihedral angles of 41.1 (1) and 83.3 (1)°, respectively, with the formylphenyl and phenyl rings. The dihedral angle between formylphenyl and phenyl rings is 47.6 (1)°. The crystal packing features C—H...O hydrogen-bond interactions.

scholarly journals N-Methyl-2-(1-methyl-3-phenylprop-2-en-1-ylidene)hydrazinecarbothioamide

2014 ◽  
Vol 70 (7) ◽  
pp. o800-o800 ◽  
Author(s):  
Fillipe Vieira Rocha ◽  
Adelino Vieira de Godoy Netto ◽  
Johannes Beck ◽  
Jörg Daniels ◽  
Adriano Bof de Oliveira
Keyword(s):  
Hydrogen Bond ◽  
Torsion Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Maximum Deviation ◽  
Hydrogen Bond Interaction ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
The Mean ◽  
Centrosymmetric Dimers

In the title compound, C12H15N3S, the molecule deviates slightly from planarity, with a maximum deviation from the mean plane of the non-H atoms of 0.2756 (6) Å for the S atom and a torsion angle for the N—N—C—N fragment of −7.04 (16)°. In the crystal, molecules are linked by N—H...S hydrogen-bond interactions, forming centrosymmetric dimers. Additionally, one weak intramolecular N—H...N hydrogen-bond interaction is observed. The crystal packing shows a herringbone arrangement viewed along thecaxis.

scholarly journals (Z)-4-n-Butyl-2-(4-chlorobenzylidene)-2H-1,4-benzothiazin-3(4H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Mohamed Ellouz ◽  
Nada Kheira Sebbar ◽  
Younes Ouzidan ◽  
Manpreet Kaur ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Crystal Packing ◽  
Boat Conformation ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C19H18ClNOS, the thiazin-3-one ring adopts a slightly distorted screw-boat conformation. An intramolecular C—H...S hydrogen bond encloses anS(6) ring and affects the overall conformation of the molecule. The dihedral angle between the two phenyl rings is 52.3 (2)°. In the crystal, weak C—H...O intermolecular interactions stabilize the crystal packing.

scholarly journals (E)-2-(4-Benzyloxy-2-hydroxybenzylidene)-N-methylhydrazinecarbothioamide

2014 ◽  
Vol 70 (2) ◽  
pp. o112-o113
Author(s):  
N. R. Sajitha ◽  
M. Sithambaresan ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Compound C ◽  
Benzene Rings

The molecule of the title compound, C16H17N3O2S, adopts anEconformation with respect to the azomethine C=N bond. The hydrazinecarbothioamide fragment is close to planar, with a largest deviation from the least-squares plane of 0.079 (2) Å for the hydrazide N atom. This fragment forms a dihedral angle of 9.43 (9)° with the central benzene ring. The benzene rings are inclined to one another by 67.55 (12)°. The molecular conformation is stabilized by an intramolecular O—H...N hydrogen bond involving the azomethine N atom. In the crystal, molecules are linked through weak N—H...S and N—H...O hydrogen bonds into double ribbons along [010]. The crystal packing also features C—H...π interactions.

scholarly journals (2Z)-2-{[N-(2-Formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methylphenyl)prop-2-enenitrile

2012 ◽  
Vol 68 (4) ◽  
pp. o1084-o1084
Author(s):  
D. Kannan ◽  
M. Bakthadoss ◽  
R. Madhanraj ◽  
S. Murugavel
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C25H22N2O3S, the sulfonyl-bound benzene ring forms dihedral angles of 36.8 (2) and 81.4 (2)°, respectively, with the formylbenzene and methylbenzene rings. The molecular conformation is stabilized by an intramolecular C—H...O hydrogen bond, which generates anS(5) ring motif. The crystal packing is stabilized by C—H...O hydrogen bonds, which generateC(11) chains along thebaxis. The crystal packing is further stabilized by π–π interactions [centroid–centroid distance = 3.927 (2) Å].

N-(4-Nitrophenyl)-N′-phenylsuccinamide

2007 ◽  
Vol 63 (11) ◽  
pp. o4367-o4367
Author(s):  
Ray J. Butcher ◽  
Jerry P. Jasinski ◽  
H. J. Ravindra ◽  
S. M. Dharmaprakash
Keyword(s):  
Dihedral Angle ◽  
Harmonic Generation ◽  
Title Compound ◽  
Phenyl Ring ◽  
Nonlinear Optical ◽  
Crystal Packing ◽  
Second Harmonic ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C16H15N3O4, the dihedral angle between the two benzene ring is 16.66 (6)°. The molecule crystallizes in a centrosymmetric space group and hence does not exhibit nonlinear optical second harmonic generation properties. The angle between the mean plane of the 4-nitrophenyl group and the adjacent NCO group is 26.2 (8)°, while the angle between the mean plane of the phenyl ring and its adjacent NCO group is 40.8 (5)°. The dihedral angle between the two NCO groups is 5.2 (3)°. The crystal packing is stabilized by intramolecular C—H...O and intermolecular N—H...O interactions, which link the molecules into chains along the b axis in the bc plane, with the phenyl rings arranged oblique to this plane.

scholarly journals (E)-2-(2,3-Dimethylanilino)-N′-(thiophen-2-ylmethylidene)benzohydrazide

2012 ◽  
Vol 68 (8) ◽  
pp. o2524-o2525 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Tze Shyang Chia ◽  
Mashooq A. Bhat ◽  
Mohamed A. Al-Omar ◽  
Hatem A. Abdel-Aziz
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Crystal Packing ◽  
Thiophene Ring ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Acceptor Atom ◽  
The Mean

In the title compound, C20H19N3OS, the central benzene ring makes dihedral angles of 45.36 (9) and 55.33 (9)° with the thiophene ring and the dimethyl-substituted benzene ring, respectively. The dihedral angle between the thiophene ring and dimethyl-substituted benzene ring is 83.60 (9)°. The thiophene ring and the benzene ring are twisted from the mean plane of the C(=O)—N—N=C bridge [maximum deviation = 0.0860 (13) Å], with dihedral angles of 23.86 (9) and 24.77 (8)°, respectively. An intramolecular N—H...O hydrogen bond generates anS(6) ring. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds to the same acceptor atom, forming sheets lying parallel to thebcplane. The crystal packing also features C—H...π interactions.

scholarly journals (Z)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
A. J. Ravi ◽  
M. Vinduvahini ◽  
A. C. Vinayaka ◽  
M. P. Sadashiva ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean

In the molecule of the title compound, C23H19NO3, the mean plane of the methoxyphenyl ring makes dihedral angles of 51.63 (8) and 50.86 (8)° with the terminal phenyl rings. An intramolecular N—H...O hydrogen bond occurs. The crystal structure features C—H...O hydrogen bonds.

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