scholarly journals Crystal structure of (E)-3-(2-hydroxy-4-methylphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one

2019 ◽  
Vol 75 (9) ◽  
pp. 1379-1382
Author(s):  
Maadh Jumaah ◽  
Huey Chong Kwong ◽  
Melati Khairuddean
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Aromatic Rings ◽  
Centrosymmetric Dimer ◽  
Chalcone Derivatives ◽  
Chalcone Derivative

The title chalcone derivative, C19H20O5, adopts a trans configuration with respect to the olefinic C=C double bond. The 2-hydroxy-4-methylphenyl ring is coplanar with the attached enone bridge [torsion angle = −179.96 (14)°], where this plane is nearly perpendicular to the 2,4,6-trimethoxyphenyl ring [dihedral angle = 75.81 (8)°]. In the crystal, molecules are linked into chains propagating along [010] by an O—H...O hydrogen bond. These chains are further connected into centrosymmetric dimer chains via weak C—H...O interactions. The conformations of related chalcone derivatives are surveyed and all of these structures adopt a skeleton with two almost orthogonal aromatic rings.

scholarly journals Crystal structure of (E)-4-hydroxy-N′-(3-hydroxybenzylidene)benzohydrazide monohydrate

2014 ◽  
Vol 70 (9) ◽  
pp. o891-o892 ◽  
Author(s):  
William T. A. Harrison ◽  
John Nicolson Low ◽  
James L. Wardell
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Hydroxy Group ◽  
Torsion Angle ◽  
Organic Molecules ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Aromatic Rings

In the title benzohydrazide hydrate, C14H12N2O3·H2O, the dihedral angle between the aromatic rings is 58.11 (6)° and the C=O and N—H groups adopt anantiorientation. The main twist in the molecule occurs about the C(=O)—Car(ar = aromatic) bond, with an N—C(=O)—Car—Cartorsion angle of −43.5 (2)°. In the crystal, the components are linked by N—H...O, O—H...N and O—H...O hydrogen bonds. These interactions generate [10-1] chains, with adjacent organic molecules linked by inversion symmetry generating either pairs of N—H...O links [R22(16) loops] or pairs of O—H...O links [R22(20) loops]. Pairs of water molecules are located in theR22(20) loops and form their own O—H...O and O—H...N hydrogen bonds to adjacent organic molecules in the chain. Finally, an interchain O—H...O hydrogen-bond link from the 4-hydroxy group generates (010) sheets.

scholarly journals Crystal structure of (3E)-3-(2,4-dinitrophenoxymethyl)-4-phenylbut-3-en-2-one

2014 ◽  
Vol 70 (9) ◽  
pp. o1051-o1052 ◽  
Author(s):  
Ignez Caracelli ◽  
Stella H. Maganhi ◽  
Paulo J. S. Moran ◽  
Bruno R. S. de Paula ◽  
Felix N. Delling ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Nitro Group ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Aromatic Rings ◽  
Compound C ◽  
The One

In the title compound, C17H14N2O6, the conformation about the C=C double bond [1.345 (2) Å] isE, with the ketone moiety almost coplanar [C—C—C—C torsion angle = 9.5 (2)°] along with the phenyl ring [C—C—C—C = 5.9 (2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66 (7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 4.2 (2)°], whereas the one in theorthoposition is twisted [O—N—C—C = 138.28 (13)°]. The molecules associateviaC—H...O interactions, involving both O atoms from the 2-nitro group, to form a helical supramolecular chain along [010]. Nitro–nitro N...O interactions [2.8461 (19) Å] connect the chains into layers that stack along [001].

scholarly journals Crystal structure of 4-chloro-2-{(E)-[(3,4-dimethylphenyl)imino]methyl}phenol

2015 ◽  
Vol 71 (6) ◽  
pp. o416-o416 ◽  
Author(s):  
Muhammad Salim ◽  
Muhammad Nawaz Tahir ◽  
Munawar Ali Munawar ◽  
Muhammad Shahid ◽  
Hazoor Ahmad Shad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Acta Cryst ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H14ClNO, which is isostructural with its bromo analogue [Tahiret al.(2012).Acta Cryst., E68, o2730], the dihedral angle between the planes of the aromatic rings is 2.71 (7)° and an intramolecular O—H...N hydrogen bond closes anS(6) ring. In the crystal, extremely weak C—H...π interactions link the molecules into a three-dimensional network.

scholarly journals Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

2015 ◽  
Vol 71 (8) ◽  
pp. o556-o557
Author(s):  
Aarti Dalal ◽  
Ramesh C. Kamboj ◽  
Dinesh Kumar ◽  
Mahendra Kumar Sharma ◽  
Nagendran Selvarajan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Photochemical Transformation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The title compound, C19H12ClF3O3, obtained by the photochemical transformation of 2-[5-chloro-2-(prop-2-ynyloxy)benzoyl]-3-[4-(trifluoromethyl)phenyl]oxirane adopts aZconformation with respect to the enolic C=C double bond. The dihedral angle between the benzene rings is 12.25 (16)° and an intramolecular O—H...O hydrogen bond closes anS(6) ring. An intramolecular C—H...O interaction also leads to anS(6) ring. In the crystal, very weak C—H...O interactions and short Cl...Cl contacts [3.3221 (16) Å] are seen, as well as weak aromatic π–π stacking interactions [centroid–centroid separation = 3.879 (2) Å].

scholarly journals Crystal structure of (E)-4-methoxy-2-{[(5-methylpyridin-2-yl)imino]methyl}phenol

2015 ◽  
Vol 71 (11) ◽  
pp. o819-o819 ◽  
Author(s):  
Farook Adam ◽  
Md Azharul Arafath ◽  
Rosenani Anwaeul Haque ◽  
Mohd Rizal Razali
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Double Bond ◽  
Dihedral Angle ◽  
Compound C ◽  
Benzene Rings ◽  
Schiff Base Compound ◽  
Intramolecular Hydrogen ◽  
Base Compound

The molecule of the title Schiff base compound, C14H14N2O2, displays anEconformation with respect the imine C=N double bond. The molecule is approximately planar, with the dihedral angle formed by the planes of the pyridine and benzene rings being 5.72 (6)°. There is an intramolecular hydrogen bond involving the phenolic H and imine N atoms.

scholarly journals (2E)-1-(2-Thienyl)-3-(2,3,5-trichlorophenyl)prop-2-en-1-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4422-o4423 ◽  
Author(s):  
B. Narayana ◽  
K. Mustafa ◽  
B. K. Sarojini ◽  
H. S. Yathirajan ◽  
Michael Bolte
Keyword(s):  
Hydrogen Bond ◽  
Double Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Geometric Parameters ◽  
Aromatic Rings ◽  
Compound C ◽  
Carbonyl Bond

The geometric parameters of the title compound, C13H7Cl3OS, are in the usual ranges. The molecule is almost planar (r.m.s. deviation of all non-H atoms 0.193 Å). The dihedral angle between the two aromatic rings is 14.41 (7)°. The C=C double bond is trans configured. The bond between the carbonyl bond and the thienyl ring is in an eclipsed conformation. The crystal packing is stabilized by a weak C—H...O hydrogen bond.

scholarly journals Crystal structure of 2-benzamido-N-(2,2-diethoxyethyl)benzamide

2015 ◽  
Vol 71 (3) ◽  
pp. o214-o215
Author(s):  
Abdelaaziz Ouahrouch ◽  
Moha Taourirte ◽  
Hassan B. Lazrek ◽  
Joachim W. Engels ◽  
Michael Bolte
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Peptide Bonds ◽  
Axis Direction ◽  
Compound C

In the title compound, C20H24N2O4, both peptide bonds adopt atransconfiguration with respect to the —N—H and —C=O groups. The dihedral angle between the aromatic rings is 53.58 (4)°. The molecular conformation is stabilized by an intramolecular N—H...O hydrogen bond. The crystal packing is characterized by zigzag chains of N—H...O hydrogen-bonded molecules running along theb-axis direction.

scholarly journals 6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1H,3H)-dione

2014 ◽  
Vol 70 (7) ◽  
pp. o768-o769 ◽  
Author(s):  
Nadia G. Haress ◽  
Hazem A. Ghabbour ◽  
Ali A. El-Emam ◽  
C. S. Chidan Kumar ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Dione Derivative ◽  
Dimensional Network ◽  
A Chain ◽  
Ring Motif

In the title pyrimidine-2,4-dione derivative, C14H16N2O2S, the dihedral angle between the six-membered rings is 77.81 (10)°. The molecule is twisted about the Cp—S (p = pyrimidine) bond, with a C—S—C—N torsion angle of −59.01 (17)°. An intramolecular C—H...S hydrogen bond generates anS(5) ring motif. In the crystal, bifurcated acceptor N—H...O and C—H...O hydrogen bonds generate inversion-related dimers incorporatingR21(9) andR22(8) loops. These dimers are connected into a chain extending along thea-axis direction by a second pair of inversion-related N—H...O hydrogen bonds, forming anotherR22(8) loop. The crystal structure is further stabilized by weak intermolecular C—H...π interactions, generating a three-dimensional network.

scholarly journals Crystal structure of (E)-2-[(4-hydroxybenzylidene)azaniumyl]benzoate

2014 ◽  
Vol 70 (9) ◽  
pp. o1008-o1008 ◽  
Author(s):  
M. Nawaz Tahir ◽  
Abdul Haleem Khan ◽  
Hazoor Ahmad Shad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Dihedral Angle ◽  
Acid Group ◽  
Aromatic Rings ◽  
Carboxylic Acid Group

The title Schiff base, C14H11NO3, crystallizes as a zwitterion (i.e.proton transfer from the carboxylic acid group to the imine N atom). The dihedral angle between the aromatic rings is 19.59 (6)° and an intramolecular N—H...O hydrogen bond closes anS(6) ring. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generateR24(24) loops. The dimers are linked by C—H...O interactions, generating (211) sheets.

scholarly journals Crystal structure of (E)-N′-benzylidene-2-methoxybenzohydrazide

2014 ◽  
Vol 70 (9) ◽  
pp. o1071-o1072
Author(s):  
Muhammad Taha ◽  
M. Syukri Baharudin ◽  
Hamizah Mohd Zaki ◽  
Bohari M. Yamin ◽  
Humera Naz
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Dihedral Angle ◽  
Phenyl Rings

In the title benzoylhydrazide derivative, C15H14N2O2, the dihedral angle between the planes of the two phenyl rings is 12.56 (9)°. The azomethine double bond adopts anEconfiguration stabilized by an N—H...O hydrogen bond. In the crystal, the components are linked by C—H...O interactions to form chains along thebaxis.

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