2,6-Di-tert-butyl-4-(phenyliminomethyl)phenol

2006 ◽  
Vol 62 (4) ◽  
pp. o1455-o1456
Author(s):  
Xi-Long Yan ◽  
Li-Gong Chen ◽  
Tao Zeng
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Hydroxy Group ◽  
Steric Hindrance ◽  
Phenyl Ring ◽  
Tert Butyl

In the title molecular structure, C21H27NO, the dihedral angle between the phenyl ring and the benzene ring planes is 63.28 (9) Å. It appears that the hydroxy group is prevented from forming a hydrogen bond because of steric hindrance by the tert-butyl groups.

4-tert-Butyl-2-{[(E)-2,6-diisopropylphenylimino]methyl}-6-(1-phenylethyl)phenol

2007 ◽  
Vol 63 (11) ◽  
pp. o4400-o4400
Author(s):  
Jin Cui ◽  
Mingjie Zhang ◽  
Jie Zhu ◽  
Naijing Cui ◽  
Bo Liu
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Tert Butyl ◽  
Compound C ◽  
Phenol Ring

The title compound, C31H39NO, was prepared by the condensation of 5-tert-butyl-2-hydroxy-3-(1-phenylethyl)benzaldehyde with 2,6-diisopropylphenylamine in refluxing ethanol. The phenol ring and the phenylimino ring are approximately perpendicular, forming a dihedral angle of 81.5 (3)°. The phenyl ring makes a dihedral angle of 75.2 (2)° with the phenol ring and also makes a dihedral angle of 62.9 (3)° with the phenylimino ring. The molecular structure is stabilized by an intramolecular O—H...N hydrogen bond linking the phenol OH group and the phenylimino N atom. One of the isopropyl groups is disordered over two positions; the site occupancies are 0.55 and 0.45.

3-Benzylidene-8-methoxy-6-(prop-2-enyl)chroman-4-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4248-o4248 ◽  
Author(s):  
R. Suresh ◽  
Charles C. Kanagam ◽  
P. R. Umarani ◽  
V. Manivannan ◽  
Orhan Büyükgüngör
Keyword(s):  
Molecular Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Compound C

In the title compound, C20H18O3, the phenyl ring makes a dihedral angle of 39.97 (4)° with the benzene ring of the chromanone unit. The molecular structure and the crystal packing are stabilized by weak intra- and intermolecular C—H...O interactions.

scholarly journals (E)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one

IUCrData ◽  
2020 ◽  
Vol 5 (1) ◽  
Author(s):  
Miri Yoo ◽  
Dongsoo Koh
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Hydroxy Group ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C18H17FO5, the conformation about the C=C bond of the central enone group is trans. The dihedral angle between the benzene rings is 13.08 (3)°. The hydroxy group attached to the benzene ring is involved in an intramolecular O—H...O hydrogen bond. In the crystal, weak C—H...O hydrogen bonds link the molecules into chains along [001].

scholarly journals Crystal structure ofrac-4-[2-(tert-butylazaniumyl)-1-hydroxyethyl]-2-(hydroxymethyl)phenol benzoate

2017 ◽  
Vol 73 (9) ◽  
pp. 1333-1335
Author(s):  
Wenju Liu ◽  
Qiliang Chen ◽  
Linda Yu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Hydroxy Group ◽  
Carboxyl Group ◽  
Medium Strength ◽  
Benzoate Anion

The title salt, C13H22NO3+·C7H5O2−, comprises one salbutamol cation {systematic name: 4-[2-(tert-butylazaniumyl)-1-hydroxyethyl]-2-(hydroxymethyl)phenol} and a benzoate anion. The cation shows disorder of the hydroxy group [occupancy ratio 0.738 (3):0.262 (3)] at the stereogenic C atom. The non-planar benzoate anion [the dihedral angle between the benzene ring and the carboxyl group is 11.30 (8)°] is linked to the salbutamol cation by a medium-strength O—H...O hydrogen bond. Other intermolecular O—H...O and N—H...O hydrogen bonds of weaker nature give rise to [001] chains.

scholarly journals [1-(2,5-Dichloroanilino)-5-methyl-1H-1,2,3-triazol-4-yl]methanol

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
Anna C. Cunha ◽  
Alessandro K. Jordão ◽  
Maria C. B. V. de Souza ◽  
Vitor F. Ferreira ◽  
Maria C. B. de Almeida ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Hydroxy Group ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C10H10Cl2N4O, the hydroxy group and benzene ring are disposed to opposite sides of the central 1,2,3-triazolyl ring. The dihedral angle between the five- and six-membered rings is 87.51 (12)°, and the C—O bond of the hydroxy group lies almost normal to the plane of the 5-membered ring [N—C—C—O = −93.2 (2)°]. An intramolecular amino-N—H...Cl hydrogen bond is noted. In the extended structure, supramolecular layers in theabplane are formedviahydroxy-O—H...N(ring) and amine-N—H...O(hydroxy) hydrogen bonds. The layers are connected along thecaxis by π–π contacts between benzene rings [inter-centroid distance = 3.7789 (13) Å] and by C—Cl...π interactions.

3-Benzylidene-8-methoxy-6-(prop-1-enyl)chroman-4-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4387-o4387 ◽  
Author(s):  
R. Suresh ◽  
Charles C. Kanagam ◽  
P. R. Umarani ◽  
V. Manivannan ◽  
Orhan Büyükgüngör
Keyword(s):  
Molecular Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Compound C

In the title compound, C20H18O3, the phenyl ring makes a dihedral angle of 50.41 (10)° with the benzene ring of the chromanone unit. The molecular structure is stabilized by weak intramolecular C—H...O interactions and the crystal packing is stabilized by weak intermolecular C—H...O interactions.

scholarly journals 2-[(E)-(Naphthalen-2-ylimino)methyl]-4-(trifluoromethoxy)phenol

2012 ◽  
Vol 68 (4) ◽  
pp. o1024-o1024
Author(s):  
Merve Pekdemir ◽  
Zarife Sibel Şahin ◽  
Şamil Işık ◽  
Ayşen Alaman Ağar ◽  
Sema Öztürk Yıldırım ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Hydroxy Group ◽  
Title Compound ◽  
System Form ◽  
Compound C

In the title compound, C18H12F3NO2, the planes of the benzene ring and the naphthalene system form a dihedral angle of 47.21 (3)°. The hydroxy group is involved in an intramolecular O—H...N hydrogen bond. In the crystal, weak C—H...O and C—H...F interactions link the molecules related by translations along thecandaaxes, respectively, into sheets.

scholarly journals Dimethyl (2Z)-2-[4-((1Z)-1-{2-[(2Z,5Z)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]hydrazin-1-ylidene}ethyl)anilino]but-2-enedioate

2013 ◽  
Vol 69 (12) ◽  
pp. o1844-o1845 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Joel T. Mague ◽  
Alaa A. Hassan ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Minor Components ◽  
Compound C ◽  
The Mean

The molecule of the title compound, C26H24N4O7S, adopts atransconformation about the central N—N bond, presumably to minimize steric between the substituents on these two atoms. An intramolecular N—H...O hydrogen bond occurs. The phenyl ring is disordered over two sets of sites, with an occupancy ratio of 0.624 (8):0.376 (8). The azolidine ring is essentially planar [maximum deviation = 0.008 (5) Å] and makes a dihedral angle of 4.3 (2)° with the benzene ring and dihedral angles of 74.1 (3) and 69.1 (5)°, respectively, with the mean planes of the major and minor components of the disordered phenyl ring. The packing in the crystal is aided by the formation of several weak C—H...O and C—H...N interactions.

scholarly journals 4-(6-Quinolyloxymethyl)benzonitrile

2009 ◽  
Vol 65 (6) ◽  
pp. o1261-o1261 ◽  
Author(s):  
Min Min Zhao ◽  
Yong Hua Li ◽  
De Hong Wu ◽  
Qing Wan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Π Interactions ◽  
Compound C ◽  
Quinoline Fragment ◽  
Ether Synthesis

The title compound, C17H12N2O, was synthesized by an ether synthesis from quinolin-6-ol and 4-(bromomethyl)benzonitrile. The phenyl ring of the benzonitrile group makes a dihedral angle of 47.52 (6)° with the plane of the quinoline fragment. The crystal structure is stabilized by intermolecular C—H...π interactions between a benzene H atom of the benzonitrile group and the benzene ring of the quinoline fragment. In addition, the crystal structure also exhibits a weak intermolecular C—H...N hydrogen bond.

scholarly journals Crystal structure of 4-tert-butyl-2-{2-[N-(3,3-dimethyl-2-oxobutyl)-N-isopropylcarbamoyl]phenyl}-1-isopropyl-1H-imidazol-3-ium perchlorate

2015 ◽  
Vol 71 (2) ◽  
pp. 223-225
Author(s):  
Olga V. Hordiyenko ◽  
Roman I. Zubatyuk
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Organic Cation ◽  
Positive Charge ◽  
Imidazole Ring ◽  
Tert Butyl

In the title salt, C26H40N3O2+·ClO4−, the positive charge of the organic cation is delocalized between the two N atoms of the imidazole ring. The C...;N bond distances are 1.338 (2) and 1.327 (3) Å. The substituents on the benzene ring are rotated almost orthogonal with respect to this ring due to the presence of the bulky isopropyl substituents. The dihedral angle between the benzene and imidazole rings is 75.15 (12)°. Three of the O atoms of the anion are disordered over two sets of sites due to rotation around one of the O—Cl bonds. The ratio of the refined occupancies is 0.591 (14):0.409 (14). In the crystal, the cation and perchlorate anion are bound by an N—H...O hydrogen bond. In addition, the cation–anion pairs are linked into layers parallel to (001) by multiple weak C—H...O hydrogen bonds.

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