scholarly journals (4R*,4aR*,7aS*)-5-Oxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4H-furo[2,3-f]isoindole-4-carboxylic acid

2013 ◽  
Vol 69 (2) ◽  
pp. o273-o274
Author(s):  
Yuriy I. Horak ◽  
Roman Z. Lytvyn ◽  
Fedor I. Zubkov ◽  
Eugeniya V. Nikitina ◽  
Yuriy V. Homza ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
Carbon Atom ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Carbonyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Independent Molecules

The asymmetric unit of the title compound, C17H15NO4, contains two independent molecules with similar geometric parameters. In both molecules, the conformation of the cyclohexene ring is half-chair, while the pyrrolidinone ring adopts an envelope conformation with the γ-carbon atom of the α-pyrrolidinone ring as the flap. In the crystal, O—H...O hydrogen bonds between the carboxylic and carbonyl groups link alternate independent molecules into chains propagating in theb-axis direction. The crystal packing also features weak C—H...π interactions.

scholarly journals 6-(Hex-5-enyloxy)naphthalene-2-carboxylic acid

2014 ◽  
Vol 70 (6) ◽  
pp. o696-o697
Author(s):  
Md. Lutfor Rahman ◽  
H. T. Srinivasa ◽  
Mashitah Mohd. Yusoff ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Carbonyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C17H18O3, comprises three independent molecules with similar geometries. In each molecule, the carbonyl group is twisted away from the napthalene ring system, making dihedral angles of 1.0 (2), 1.05 (19)° and 1.5 (2)°. The butene group in all three molecules are disordered over two sets of sites, with a refined occupancy ratio of 0.664 (6):0.336 (6). In the crystal, molecules are oriented with respect to their carbonyl groups, forming head-to-head dimersviaO—H...O hydrogen bonds. Adjacent dimers are further interconnected by C—H...O hydrogen bonds into chains along thea-axis direction. The crystal structure is further stabilized by weak C—H...π interactions.

scholarly journals 3-(4-Chloroanilino)-5,5-dimethylcyclohex-2-en-1-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1063-o1063
Author(s):  
Sumati Anthal ◽  
Ambika Sambyal ◽  
R. K. Bamzai ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Independent Molecules

The asymmetric unit of the title compound, C14H16ClNO, contains two independent molecules, both with the cyclohexene ring in a sofa conformation. In the crystal, N—H...O hydrogen bonds link the molecules related by translation along theaaxis into two crystallographically independent chains. Weak C—H...π interactions are also observed.

scholarly journals N-Methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide

2014 ◽  
Vol 70 (3) ◽  
pp. o301-o302 ◽  
Author(s):  
Adriano Bof de Oliveira ◽  
Bárbara Regina Santos Feitosa ◽  
Christian Näther ◽  
Inke Jess
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Independent Molecules

There are two independent molecules in the asymmetric unit of the title compound, C12H15N3S, both of which display disorder of several C atoms in the N-bound ring (occupancy ratios of 0.75:0.25 in the first independent molecule and 0.50:0.50 in the second) with the methyl H atoms also being disordered in the first molecule (occupancy ratio of 0.70:0.30). The planes of the benzene ring and the N—N—C—N fragment make dihedral angles of 12.92 (14)° in the first independent molecule and 7.60 (13)° in the second. In the crystal, molecules are linked by weak N—H...S hydrogen bonds into chains along thea-axis direction. The crystal packing ressembles a herringbone arrangement.

scholarly journals Crystal structure of 5-(4-benzyloxyphenyl)-3-(4-methoxyphenyl)-6-methylcyclohex-2-en-1-one

2015 ◽  
Vol 71 (1) ◽  
pp. 16-18
Author(s):  
S. Sathya ◽  
D. Reuben Jonathan ◽  
J. Sidharthan ◽  
R. Vasanthi ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C27H26O3, crystallized with two independent molecules (AandB) in the asymmetric unit. In moleculeA, the plane of the central benzene ring forms dihedral angles of 75.78 (14) and 52.75 (16)° with that of the terminal benzene rings, and the dihedral angle between the planes of the terminal benzene rings is 51.49 (17)°. The corresponding values for moleculeBare 75.18 (14), 58.11 (16) and 47.91 (16)°, respectively. The cyclohexene ring adopts an envelope conformation in both molecules, with the C atom to which is attached the central benzene ring as the flap. The crystal packing, is stabilized by C—H...π interactions.

scholarly journals Crystal structure of ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate

2014 ◽  
Vol 70 (10) ◽  
pp. o1122-o1123
Author(s):  
Julio Zukerman-Schpector ◽  
I. Caracelli ◽  
Hélio A. Stefani ◽  
Amna N. Khan ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Methyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

In the title compound, C15H20BrNO2, there are two independent molecules (AandB) comprising the asymmetric unit and these adopt very similar conformations. InA, the dihedral angle between the CO2and MeC=CMe2groups is 80.7 (3)°, and these make dihedral angles of 3.5 (3) and 84.09 (16)°, respectively, with the bromobenzene ring. The equivalent dihedral angles for moleculeBare 78.4 (3), 2.1 (3) and 78.37 (12)°, respectively. The most prominent interactions in the crystal packing are amine-N—H...O(carbonyl) hydrogen bonds between the two independent molecules, resulting in non-centrosymmetric ten-membered {...OC2NH}2synthons. Statistical disorder is noted for each of the terminal methyl groups of the ethyl residues.

(E)-2-Bromo-4,5-dimethoxybenzaldehyde oxime

2006 ◽  
Vol 62 (5) ◽  
pp. o1946-o1947
Author(s):  
Xiang Li ◽  
Da-Min Tian
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C9H10BrNO3, which exists as the E isomer, crystallizes with two independent molecules in the asymmetric unit. The bond lengths and angles in both molecules are normal. The crystal packing is stabilized by intermolecular O—H...O hydrogen bonds, which link the molecules into circular tetramers, and by weak π–π stacking interactions.

scholarly journals 5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-b:2′,3′-d]thiophene S,S-dioxide dichloromethane hemisolvate

IUCrData ◽  
2019 ◽  
Vol 4 (11) ◽  
Author(s):  
R. Manickam ◽  
G. Jagadeesan ◽  
S. Muhamad Rafiq ◽  
A. K. Mohanakrishnan ◽  
G. Srinivasan
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The title compound, C34H24O4S·0.5CH2Cl2, crystallizes with two independent molecules and one dichloromethane solvent molecule in the asymmetric unit. The crystal packing is consolidated by C—H...O hydrogen bonds.

4-Amino-6-chloro-8-p-tolylpteridin-7(8H)-one dichloromethane hemisolvate

2006 ◽  
Vol 62 (7) ◽  
pp. o2680-o2682
Author(s):  
Chong-Gang Duan ◽  
Jiong Jia ◽  
Jian-Wu Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Compound C ◽  
Normal Ranges ◽  
Independent Molecules

The title compound, C13H10ClN5O·0.5CH2Cl2, crystallizes with two independent 4-amino-6-chloro-8-p-tolylpteridin-7(8H)-one molecules and one dichloromethane molecule in the asymmetric unit. The bond lengths and angles in the molecules are within normal ranges. Intermolecular N—H...N hydrogen bonds link the two independent molecules into hydrogen-bonded dimers. The crystal packing is further stabilized by van der Waals forces.

scholarly journals 3-Bromo-6-nitro-1-(prop-2-en-1-yl)-1H-indazole

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Mohamed Mokhtar Mohamed Abdelahi ◽  
Youness El Bakri ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Compound C ◽  
Π Stacking ◽  
Two Component ◽  
Independent Molecules

The asymmetric unit of the title compound, C10H8BrN3O2, contains two independent molecules differing primarily in the orientations of the allyl substituents [N—C—C=C torsion angles = −125.4 (16) and 116.0 (16)°]. The crystal packing involves slipped π–π stacking of indazole units, together with weak C—H...O and C—H...Br hydrogen bonds. The crystal studied was refined as a two-component twin.

scholarly journals (Z)-3-(4-Methylbenzylidene)-4-oxopentanoic acid

IUCrData ◽  
2016 ◽  
Vol 1 (12) ◽  
Author(s):  
Youness Boukharsa ◽  
Hamadoun Abba Touré ◽  
Jamal Taoufik ◽  
Hanane Benzeid ◽  
M'hammed Ansar
Keyword(s):  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Levulinic Acid ◽  
Acid Group ◽  
Asymmetric Unit ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Independent Molecules

The title compound, C13H14O3, a levulinic acid derivative, crystallizes with two independent molecules (AandB) in the asymmetric unit. The compound adopts aZconfiguration about the C=C bonds in both molecules. The dihedral angle between the toluene ring and the carboxylic acid group is 72.83 (7)° in moleculeAand 83.64 (8)° in moleculeB. The toluene rings are inclined to the ketone substituents by 27.03 (9)° forAand 30.84 (6)° forB. In the crystal, like molecules are linked by pairs of O—H...O hydrogen bonds, formingA–AandB-Binversion dimers.

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