scholarly journals Crystal structure of (E)-3-(3,4-dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one

2015 ◽  
Vol 71 (5) ◽  
pp. o371-o372 ◽  
Author(s):  
K. S. Ezhilarasi ◽  
D. Reuben Jonathan ◽  
R. Vasanthi ◽  
B. K. Revathi ◽  
G. Usha
Keyword(s):  
Hydrogen Bond ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Carbonyl Groups ◽  
Naphthalene Ring ◽  
Bond Forming ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

The molecular structure of the title compound, C21H18O4, consists of a 3,4-dimethoxyphenyl ring and a naphthalene ring system linkedviaa prop-2-en-1-one spacer. The molecule is almost planar, with a dihedral angle between the benzene ring and the naphthalene ring system of 2.68 (12)°. There is an intramolecular O—H...O hydrogen bond involving the adjacent hydroxy and carbonyl groups. The molecule has anEconformation about the C=C bond and the carbonyl group issynwith respect to the C=C bond. In the crystal, molecules are linked by bifurcated C—H...(O,O) hydrogen bonds, enclosing anR21(6) ring motif, and by a further C—H...O hydrogen bond, forming undulating sheets extending inb-andc-axis directions. There are π–π interactions between the sheets, involving inversion-related naphthalene and benzene rings [intercentroid distance = 3.7452 (17) Å], forming a three-dimensional structure.

scholarly journals Crystal structure of 4-bromo-2-(1H-imidazo[4,5-b]pyridin-2-yl)phenol

2015 ◽  
Vol 71 (12) ◽  
pp. o991-o992
Author(s):  
Kamel Ouari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Bond Forming ◽  
Pyridine Moiety ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C12H8BrN3O, the 4-bromophenol ring is coplanar with the planar imidazo[4,5-b]pyridine moiety (r.m.s deviation = 0.015 Å), making a dihedral angle of 1.8 (2)°. There is an intramolecular O—H...N hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linkedviaN—H...N and O—H...Br hydrogen bonds, forming undulating sheets parallel to (10-2). The sheets are linked by π–π interactions [inter-centroid distance = 3.7680 (17) Å], involving inversion-related molecules, forming a three-dimensional structure.

scholarly journals N-(4-Chlorophenyl)-N′-{4-[(Z)-hydroxy(1-oxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}urea

IUCrData ◽  
2018 ◽  
Vol 3 (6) ◽  
Author(s):  
Ísmail Çelik ◽  
Zeliha Atioğlu ◽  
Gamze Ordu ◽  
Hayreddin Gezegen ◽  
Mehmet Akkurt
Keyword(s):  
Hydrogen Bond ◽  
Molecular Conformation ◽  
Ring System ◽  
Dihedral Angles ◽  
Bond Forming ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Ring Motif ◽  
Methyl Phenyl

In the title compound, C23H17ClN2O3, the 2,3-dihydro-1H-indene ring system (r.m.s deviation = 0.004 Å) subtends dihedral angles of 81.12 (16) and 7.56 (14)° with the chlorophenyl and benzene rings, respectively. The molecular conformation features an intramolecular O—H...O hydrogen bond, forming an S(6) ring motif. In the crystal, molecules are linked by N—H...O hydrogen bonds generating [100] chains featuring R 1 2(6) loops. Weak aromatic π–π stacking [centroid–centroid distance = 3.656 (2) Å] is also oberved.

scholarly journals Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate

2015 ◽  
Vol 71 (7) ◽  
pp. 734-736
Author(s):  
S. Sravya ◽  
S. Sruthy ◽  
N. Aiswarya ◽  
M. Sithambaresan ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Organic Molecules ◽  
Three Dimensional ◽  
Bond Forming ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C13H10BrN3O2·H2O, the conformation about the azomethine double bond isE. The molecule exists in the amido form with a C=O bond length of 1.229 (2) Å. There is an intramolecular O—H...N hydrogen bond forming anS(6) ring motif. The whole molecule is almost planar, with an r.m.s. deviation of 0.021 Å for all non-H atoms, and the dihedral angle between the planes of the pyridine and benzene rings is 0.74 (12)°. In the crystal, the water molecule of crystallization links the organic moleculesviaOw—H...O, Ow—H...N and N—H...Ow hydrogen bonds and short C—H...Ow contacts, forming sheets lying parallel to (100). Within the sheets there is a weak π–π interaction involving the pyridine and benzene rings [centroid-to-centroid distance = 3.8473 (15) Å]. The sheets are linkedviaC—H...Br interactions, forming a three-dimensional network.

scholarly journals Crystal structure of (5-chloro-2-hydroxyphenyl)(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone

2015 ◽  
Vol 71 (11) ◽  
pp. o875-o876
Author(s):  
Rajamani Raja ◽  
Nataraj Poomathi ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Bond Forming ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean ◽  
Ring Motif

In the title compound, C14H9ClN2O3, the fused pyridine and isoxazole rings are approximately planar, making a dihedral angle of 1.14 (16)°. The molecule is twisted with the benzene ring and the mean plane through the fused pyridine-isoxazole ring system being inclined to one another by 47.03 (13)°. There is an intramolecular O—H...O hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linked by C—H...N hydrogen bonds, forming chains propagating along [001]. The chains are linked by slipped parallel π–π interactions, involving inversion-related benzene rings, forming slabs lying parallel to thebcplane {inter-centroid distance = 3.770 (2) Å].

scholarly journals Crystal structure of 3-methoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol

2015 ◽  
Vol 71 (11) ◽  
pp. o828-o829
Author(s):  
Dongsoo Koh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Bond Forming ◽  
Compound C ◽  
Pyrazoline Ring ◽  
Ring Motif

In the title compound, C20H18N2O2, the central pyrazoline ring has an envelope conformation with the atom substituted by the naphthalene ring as the flap. It bridges a benzene ring and a naphthalene ring system which are almost normal to one another, making a dihedral angle of 82.03 (6) °. There is an intramolecular O—H...N hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linked by pairs of N—H...π interactions, forming inversion dimers. There are also C—H...π interactions present and the dimers are linkedviaC—H...O hydrogen bonds, forming ribbons propagating along thea-axis direction.

scholarly journals Crystal structure of 3,5-dimethoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol

2015 ◽  
Vol 71 (10) ◽  
pp. o708-o709
Author(s):  
Dongsoo Koh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Naphthalene Ring ◽  
Compound C ◽  
Pyrazoline Ring ◽  
The Mean ◽  
Ring Motif

In the title compound, C21H20N2O3, the planes of the benzene ring and the naphthalene ring system are inclined to one another by 70.95°, and by 4.99 (6) and 75.93 (5)°, respectively, to the mean plane of the pyrazoline ring. The latter has an envelope conformation with the methine (CH) C atom as the flap. There is an intramolecular O—H...N hydrogen bond that forms anS(6) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains along [100]. The chains are linkedviaC—H...N hydrogen bonds, forming sheets parallel to theabplane. The sheets are linked by a series of N—H...π and C—H...π interactions forming a three-dimensional structure.

scholarly journals 3-Methyl-5,6-diphenyl-1H-pyrazolo[1,2-a]cinnolin-1-one

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Sivakalai Mayakrishnan ◽  
Y. Arun ◽  
Narayanan Uma Maheswari
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Bond Forming ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules ◽  
Ring Motif

The asymmetric unit of the title compound, C24H18N2O, comprises two crystallographically independent molecules (AandB), with slightly different conformations. In each molecule, there is an intramolecular C—H...O hydrogen bond forming anS(6) ring motif. The pyridazine rings of the pyrazolo[1,2-a]cinnoline units have screw-boat conformations. Their mean planes are inclined to the phenyl rings by 83.81 (8) and 74.19 (8)° in moleculeA, and 89.72 (8) and 71.07 (8)° in moleculeB. In the crystal, theAandBmolecules are linked by a pair of C—H...O hydrogen bonds, forming an A–B dimer with anR22(14) ring motif. These dimers are linked by further C—H...O hydrogen bonds, forming ribbons propagating along theb-axis direction. The ribbons are linked by a number of C—H...π interactions, forming a three-dimensional structure.

scholarly journals [2,7-Dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl](4-phenoxyphenyl)methanone

2013 ◽  
Vol 69 (2) ◽  
pp. o208-o209 ◽  
Author(s):  
Daichi Hijikata ◽  
Kosuke Sasagawa ◽  
Sayaka Yoshiwaka ◽  
Akiko Okamoto ◽  
Noriyuki Yonezawa
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Carbonyl Groups ◽  
Naphthalene Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Hydroxy Groups

In the title compound, C36H24O6, the benzoyl groups at the 1- and 8-positions of the naphthalene system are in anantiorientation. Both carbonyl groups form intramolecular O—H...O hydrogen bonds with hydroxy groups affording six-membered rings. The benzene rings of the benzoyl groups make dihedral angles of 59.26 (13) and 59.09 (13)° with the naphthalene ring system. Zigzag C—H...O chains and ladder C—H...O chains between the phenoxybenzoyl groups along theabdiagonals form an undulating checkered sheet. The molecules are further connected into a three-dimensional network by C—H...π interactions.

scholarly journals Crystal structure of (Z)-1-(3,4-dichlorophenyl)-3-methyl-4-[(naphthalen-1-ylamino)(p-tolyl)methylidene]-1H-pyrazol-5(4H)-one

2014 ◽  
Vol 70 (9) ◽  
pp. o955-o956 ◽  
Author(s):  
Naresh Sharma ◽  
Sanjay Parihar ◽  
R. N. Jadeja ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Benzene Ring ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Carbonyl Oxygen ◽  
Ring System ◽  
Dimensional Structure ◽  
Naphthalene Ring ◽  
Compound C ◽  
Schiff Base Compound ◽  
Base Compound

The title Schiff base compound, C28H21Cl2N3O, was synthesized by the condensation of 1-(3,4-dichlorophenyl)-3-methyl-4-(4-methylbenzoyl)-1H-pyrazol-5(4H)-one with 1-aminonaphthalene. Thep-tolyl ring is normal to the pyrazole ring, with a dihedral angle of 88.02 (14)°, and inclined to the naphthalene ring system by 78.60 (12)°. The pyrazole ring is inclined to the naphthalene ring system and the dichloro-substituted benzene ring by 63.30 (12) and 11.03 (13)°, respectively. The amino group and carbonyl oxygen atom are involved in an intramolecular N—H...O hydrogen bond enclosing anS(6) ring motif. There is also a short C—H...O contact involving the carbonyl O atom and the adjacent benzene ring. In the crystal, molecules are linked by C—H...π interactions, forming a three-dimensional structure.

scholarly journals 2-(4-Bromophenyl)-2-oxoethyl anthracene-9-carboxylate

2012 ◽  
Vol 68 (6) ◽  
pp. o1876-o1876 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Safra Izuani Jama Asik ◽  
B. Garudachari ◽  
Arun M. Isloor ◽  
M. N Satyanarayan
Keyword(s):  
Hydrogen Bond ◽  
Ring System ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
The Mean ◽  
Ring Motif

In the title compound, C23H15BrO3, the anthracene ring system is essentially planar [maximum deviation = 0.29 (2) Å] and makes a dihedral angle of 5.74 (8)° with the mean plane of the bromo-substituted benzene ring. An intramolecular C—H...O hydrogen bond generates an S(9) ring motif. In the crystal, molecules are linked by C—H...O interactions, forming a two-dimensional network parallel to the ac plane. π–π stacking interactions are observed between benzene rings [centroid–centroid distances = 3.5949 (14) and 3.5960 (13) Å].

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