scholarly journals 2-[4-(Trifluoromethoxy)phenyl]-1H-benzimidazole

2013 ◽  
Vol 69 (2) ◽  
pp. o264-o264 ◽  
Author(s):  
Nikhath Fathima ◽  
M. S. Krishnamurthy ◽  
Noor Shahina Begum
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Site Occupancy ◽  
Stacking Interactions ◽  
Trifluoromethyl Group ◽  
Ring Form ◽  
Compound C ◽  
Centroid Distance ◽  
Benzimidazole Group

In the title compound, C14H9F3N2O, the best planes of the benzimidazole group and benzene ring form a dihedral angle of 26.68 (3)°. In the crystal, N—H...N hydrogen bonds link the molecules into infinite chains parallel to thecaxis. Stacking interactions between the benzimidazole groups [centroid–centroid distance = 3.594 (5) Å] assemble the molecules into layers parallel to (100). The trifluoromethyl group is disordered over three sets of sites with site-occupancy factors of 0.787 (4), 0.107 (7) and 0.106 (7).

scholarly journals 2,4-Dibromo-2,3-dihydro-1H-inden-1-yl acetate

2012 ◽  
Vol 68 (6) ◽  
pp. o1884-o1884 ◽  
Author(s):  
Ísmail Çelik ◽  
Mehmet Akkurt ◽  
Makbule Yilmaz ◽  
Ahmet Tutar ◽  
Ramazan Erenler ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentene Ring

In the title compound, C11H10Br2O2, the cyclopentene ring fused to the benzene ring adopts an envelope conformation, with the C atom attached to the Br atom as the flap. The crystal structure does not exhibit any classical hydrogen bonds. The molecular packing is stabilized by van der Waals forces and π–π stacking interactions with a centroid–centroid distance of 3.811 (4) Å.

scholarly journals [(1R*,3S*,4S*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate

IUCrData ◽  
2020 ◽  
Vol 5 (2) ◽  
Author(s):  
Alan J. Lough ◽  
Angel Ho ◽  
William Tam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Centroid

The relative stereo- and regiochemistry of the racemic title compound, C25H19NO7, were established from the crystal structure. The fused benzene ring forms dihedral angles of 77.3 (1) and 60.3 (1)° with the hydroxy-substituted benzene ring and the nitro-substituted benzene ring, respectively. The dihedral angle between the hydroxy-substituted benzene ring and the nitro-substituted benzene ring is 76.4 (1)°. An intramolecular O—H...O hydrogen bond closes an S(6) ring. In the crystal, weak C—H...O hydrogen bonds connect the molecules, forming layers parallel to (100). Within these layers, there are weak π–π stacking interactions with a ring centroid–ring centroid distance of 3.555 (1) Å.

scholarly journals 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (7) ◽  
pp. o825-o825 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Hydrogen Bonds ◽  
Least Squares ◽  
Benzene Ring ◽  
Title Compound ◽  
Interplanar Distance ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C10H4ClFO3, a chlorinated and fluorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. = 0.0336 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.062 (2) Å] being for a benzene-ring C atom. In the crystal, molecules are linked through stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.958 (3) Å and interplanar distance = 3.259 (3) Å], C—H...O hydrogen bonds, and short C...O contacts [2.879 (3) Å]. Unsymmetrical halogen–halogen interactions between the Cl and F atoms [Cl...F = 3.049 (3) Å, C—Cl...F = 148.10 (9)° and C—F...Cl = 162.06 (13)°] are also formed, giving a meandering two-dimensional network along theaaxis.

scholarly journals Methyl N-{4-[(4-methoxyphenoxy)methyl]-2-oxo-2H-chromen-7-yl}carbamate

2012 ◽  
Vol 68 (6) ◽  
pp. o1734-o1734
Author(s):  
K. Mahesh Kumar ◽  
N. M. Mahabaleshwaraiah ◽  
O. Kotresh ◽  
S Jeyaseelan ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Chromene Ring

In the title compound, C19H17NO6, the dihedral angle between the 2H-chromene ring system and benzene ring is 5.34 (6)°. A short intramolecular C—H...O contact occurs. In the crystal, molecules are linked by N—H...O hydrogen bonds, generating C(8) chains propagating in [010]. The chains are linked by C—H...O interactions and the packing also exhibits π–π stacking interactions between benzene and pyran rings, with a centroid–centroid distance of 3.676 (9) Å.

scholarly journals 6-Amino-3-methyl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

2014 ◽  
Vol 70 (8) ◽  
pp. o875-o876 ◽  
Author(s):  
Naresh Sharma ◽  
Goutam Brahmachari ◽  
Bubun Banerjee ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Ring System ◽  
Boat Conformation ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C17H18N4O4, the dihedral angle between the benzene ring and 2,4-dihydropyrano[2,3-c]pyrazole ring system is 89.41 (7)°. The pyran moiety adopts a strongly flattened boat conformation. In the crystal, molecules are linked by N—H...N, N—H...O, C—H...N and C—H...O hydrogen bonds into an infinite two-dimensional network parallel to (110). There are π–π interactions between the pyrazole rings in neighbouring layers [centroid–centroid distance = 3.621 (1) Å].

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].

scholarly journals 6-Fluoro-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (5) ◽  
pp. o583-o583 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
The Mean

In the title compound, C10H5FO3, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0071 Å), with the largest deviation from the mean plane [0.0203 (15) Å] being found for the ring C atom in the 2-position. In the crystal, molecules are linked into a three-dimensional architectureviaC—H...O hydrogen bonds and π–π stacking interactions between the chromone units along thea-axis direction [centroid–centroid distance between the benzene and pyran rings = 3.707 (2) Å].

scholarly journals 1-{(Z)-[2-Methoxy-5-(trifluoromethyl)anilino]methylidene}naphthalen-2(1H)-one

2013 ◽  
Vol 69 (2) ◽  
pp. o163-o163
Author(s):  
Hakan Kargılı ◽  
Ayşen Alaman Ağar ◽  
Gökhan Alpaslan ◽  
Orhan Büyükgüngör ◽  
Ahmet Erdönmez
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Tautomeric Form ◽  
Ring System ◽  
Trifluoromethyl Group ◽  
Naphthalene Ring ◽  
Compound C

The title compound, C19H14F3NO2, crystallizes in the keto–amine tautomeric form, with a strong intramolecular N—H...O hydrogen bond. The molecule is almost planar; the dihedral angle between the naphthalene ring system and the benzene ring is 4.60 (7)°. In the crystal, molecules are linked into chains along thecaxis by C—H...O hydrogen bonds. The F atoms of the trifluoromethyl group are disordered over two positions with refined site occupancies of 0.668 (9) and 0.332 (9).

scholarly journals N-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)benzenesulfonamide

2014 ◽  
Vol 70 (4) ◽  
pp. o445-o445
Author(s):  
Venkatesh B. Devaru ◽  
K. S. Katagi ◽  
O. Kotresh ◽  
H. K. Arunkashi ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

The asymmetric unit of the title compound, C13H11ClN4O2S, contains two molecules (AandB), in which the dihedral angles between the 1H-imidazo[4,5-c]pyridine system and terminal phenyl ring are 80.83 (10) and 62.34 (1)°. In the crystal,A–Bdimers are linked by pairs of N—H...N hydrogen bonds, which generateR22(10) loops. The dimers are linked by C—H...O and C—H...Cl interactions, generating a three-dimensional network. Aromatic π–π stacking interactions [shortest centroid–centroid distance = 3.5211 (12) Å] are also observed.

scholarly journals 4-{[Bis(2-hydroxyethyl)amino]methyl}-6-methoxy-2H-chromen-2-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2413-o2414
Author(s):  
Reshma Naik ◽  
Ravish Sankolli ◽  
G. N. Anil Kumar ◽  
T. N. Guru Row ◽  
Manohar V. Kulkarni
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Side Chains ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C15H19NO5, an intramolecular O—H...O hydrogen bond links the hydroxyethyl side chains, forming a seven-membered ring. In the crystal, molecules are linked into chainsviaO—H...O hydrogen bonds along thebaxis. Further, molecules are linked by weak intermolecular C—H...O and π–π stacking interactions [centroid–centroid distance = 3.707 (4) Å].

Sign in / Sign up

Export Citation Format

Share Document