5-cis-Bromo-2,2,6,6-tetramethyltetrahydropyran-3-carboxylic acid

2006 ◽  
Vol 62 (5) ◽  
pp. o1918-o1919
Author(s):  
Jens Hartung ◽  
Marco Greb ◽  
Ingrid Svoboda ◽  
Hartmut Fuess
Keyword(s):  
Carboxylic Acid ◽  
Title Compound ◽  
Bond Angle ◽  
Chair Conformation ◽  
Torsion Angles ◽  
Compound C ◽  
Centrosymmetric Dimers ◽  
Endocyclic Bond ◽  
Hydrogen Bonded

Enantiomers of the title compound, C10H17BrO3, form hydrogen-bonded centrosymmetric dimers, where the carboxy H atom serves as donor and the C=O group of a neighbouring molecule acts as acceptor. The proximity of two axial methyl substituents causes distortions of the tetrahydropyran chair conformation, which are evident from the magnitude of the endocyclic bond angle at the O atom and the values of the endocyclic torsion angles.

cis-5-Bromo-2,2,6-trimethyl-trans-6-phenyltetrahydropyran-3-carboxylic acid

2006 ◽  
Vol 62 (5) ◽  
pp. o1920-o1922
Author(s):  
Jens Hartung ◽  
Uwe Bergsträßer ◽  
Marco Greb ◽  
Ingrid Svoboda ◽  
Hartmut Fuess
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Title Compound ◽  
Bond Angle ◽  
Compound C ◽  
Close Contacts ◽  
Endocyclic Bond

Centrosymmetric hydrogen-bonding between carboxy substituents links enantiomers of the title compound, C15H19BrO3, into dimers. Close contacts that originate from axially arranged methyl substituents in positions 2 and 6 induce distortions, which are evident from a widening of the endocyclic bond angle at the ring O atom [122.6 (6)°] and a flattening of the tetrahydropyran chair.

scholarly journals 5′′-(4-Methoxybenzylidene)-1′-(4-methoxyphenyl)-1′′-methyl-1′,2′,3′,5′,6′,7′,8′,8a′-octahydrodispiro[acenaphthylene-1,3′-indolizine-2′,3′′-piperidine]-2,4′′(1H)-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o256-o257 ◽  
Author(s):  
J. Suresh ◽  
R. A. Nagalakshmi ◽  
S. Sivakumar ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Piperidine Ring ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Puckering Parameters ◽  
Centrosymmetric Dimers

In the title compound, C39H38N2O4, the pyridinone ring adopts a twisted half-chair conformation with the N atom deviating by 0.3304 (1) and with the methylene C atom adjacent to the octahydroindolizine unit deviating by 0.444 (3) Å from the mean plane defined by the other four atoms. In the octahydroindolizine system, the pyrrolidine ring exhibits an envelope conformation, with the fused methyne C atom deviating by 0.6315 (1) Å from the mean plane defined by the other four atoms, and the piperidine ring exhibits a distorted chair conformation, as reflected in the puckering parametersQ= 0.568 (4) Å, θ = 1.5 (4) and ϕ = 161 (16)°. In the crystal pairs of weak C—H...O interactions form centrosymmetric dimers, which are further connected by C—H...π interactions. The crystal studied was a non-merohedral twin, with a domain ratio of 0.91:0.09.

scholarly journals Crystal structure of 7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid

2015 ◽  
Vol 71 (2) ◽  
pp. o94-o94
Author(s):  
Noureddine Beghidja ◽  
Samir Benayache ◽  
Fadila Benayache ◽  
David W. Knight ◽  
Benson M. Kariuki
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Chair Conformation ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Carboxylic Groups

In the title compound, C15H22O2, both five-membered rings display an envelope conformation whereas the six-membered ring displays a chair conformation. In the crystal, pairs of O—H...O hydrogen bonds between carboxylic groups link molecules, related by a twofold rotation axis, into supramolecular dimers.

scholarly journals (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-carboxypropanoate

2009 ◽  
Vol 65 (6) ◽  
pp. o1192-o1192 ◽  
Author(s):  
Piotr Kuś ◽  
Marcin Rojkiewicz ◽  
Grzegorz Zięba ◽  
Monika Witoszek ◽  
Peter G. Jones
Keyword(s):  
Carboxylic Acid ◽  
Title Compound ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Hydrogen Bonded

In the title compound, C10H16O6, the five-membered ring has an envelope conformation. The packing involves hydrogen-bonded carboxylic acid inversion dimers and three C—H...O interactions.

scholarly journals 1-(4-tert-Butylbenzyl)-3-phenyl-1H-pyrazole-5-carboxylic acid

2009 ◽  
Vol 65 (6) ◽  
pp. o1273-o1273 ◽  
Author(s):  
Zheng Tang ◽  
Xiao-Ling Ding ◽  
Yong-Sheng Xie ◽  
Bao-Xiang Zhao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Carboxylate Group ◽  
Compound C ◽  
The Mean ◽  
Centrosymmetric Dimers

In the title compound, C21H22N2O2, the mean plane of the pyrazole ring makes dihedral angles of 18.80 (12) and 77.13 (5)°, respectively, with the mean planes of the phenyl andtert-butylbenzyl rings. The carboxylate group is inclined at 8.51 (14)° with respect to the pyrazole ring. The crystal structure displays intermolecular O—H...O hydrogen bonding, generating centrosymmetric dimers.

scholarly journals (4S,5R)-4-Benzyloxy-5-[4-(cyclohexanecarbonyl)phenyl]-1-(4-methoxybenzyl)pyrrolidin-2-one

2014 ◽  
Vol 70 (4) ◽  
pp. o419-o420
Author(s):  
Yan-Jiao Gao ◽  
Jie Ma ◽  
Xiao Zheng
Keyword(s):  
Title Compound ◽  
Cross Coupling ◽  
Chair Conformation ◽  
Relative Orientation ◽  
Carbonyl Groups ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
The Core ◽  
Compound C ◽  
Unexpected Product

The title compound, C32H35NO4, is an unexpected product obtained in the SmI2-mediated radical cross-coupling of a lactam 2-pyridyl sulfone with an arone. The asymmetric unit contains two molecules. In both molecules, the core pyrrolidinone ring adopts an approximate envelope conformation (with the C atom bearling the benzyloxy substituent as the flap) and the cyclohexyl ring has a chair conformation. The relative orientation of the two substitutent groups at the 4- and 5-positions of the pyrrolidinone ring isantiin both molecules, with O(benzyloxy)—C—C—C(benzene) torsion angles of 150.8 (3) and 154.2 (2)°. In the crystal, C—H...O interactions involving carbonyl groups as acceptors lead to the formation of a tape motif propagating parallel to thea-axis direction.

scholarly journals 2-(3-Chloroanilino)pyridine

2009 ◽  
Vol 65 (6) ◽  
pp. o1449-o1449
Author(s):  
Zainal Abidin Fairuz ◽  
Zaharah Aiyub ◽  
Zanariah Abdullah ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bond ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Bond Angle ◽  
Compound C ◽  
Adjacent Molecule ◽  
Hydrogen Bonded

In the title compound, C11H9ClN, the dihedral angle between the aromatic ring planes is 44.2 (1)° and the bridging C—N—C bond angle is 127.60 (19)°. The amino N—H grouping makes a hydrogen bond to the pyridyl N atom of an adjacent molecule across a center of inversion, generating a hydrogen-bonded dimer.

scholarly journals Crystal structure of 2,2-dichloro-1-(piperidin-1-yl)ethanone

2015 ◽  
Vol 71 (1) ◽  
pp. o47-o47
Author(s):  
Markus Schwierz ◽  
Helmar Görls ◽  
Wolfgang Imhof
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Carbonyl Group ◽  
Title Compound ◽  
Bond Angle ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Compound C

In the title compound, C7H11Cl2NO, the piperidine ring shows a chair conformation and the bond-angle sum at the N atom is 359.9°. The H atom of the dichloromethyl group is in an eclipsed conformation with respect to the carbonyl group (H—C—C=O = −5°). In the crystal, inversion dimers are linked by pairs of C—H...O hydrogen bonds between the dichloromethyl group and the carbonyl O atom, which generateR22(8) loops. The dimers are linked into a ladder-like structure propagating in the [100] direction by short O...Cl [3.1084 (9) Å] contacts.

scholarly journals Crystal structure of (2S)-3-methyl-2-[(naphthalen-1-ylsulfonyl)amino]butanoic acid

2015 ◽  
Vol 71 (5) ◽  
pp. o308-o308
Author(s):  
Muhammad Danish ◽  
Muhammad Nawaz Tahir ◽  
Nabila Jabeen ◽  
Muhammad Asam Raza
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Title Compound ◽  
Sulfonyl Chloride ◽  
Butanoic Acid ◽  
Carboxylic Acid Groups ◽  
Compound C ◽  
Hydrogen Bonded

The title compound, C15H17NO4S, was synthesized from L-valine and naphthalene-1-sulfonyl chloride. The hydrogen-bonded carboxylic acid groups form a catemerC(4) motif extending along [100]. The catemer structure is reinforced by a rather long N—H...O hydrogen bond, between the sulfamide N—H group and a carboxylic acid O atom [H...O = 2.52 (2) Å], and a C—H...O hydrogen bond.

(E)-3-tert-Butyl-4-(4-chlorobenzyl)-N-(4-chlorobenzylidene)-1-phenyl-1H-pyrazol-5-amine: sheets built from π-stacked hydrogen-bonded dimers

2013 ◽  
Vol 69 (9) ◽  
pp. 1039-1042
Author(s):  
Jairo Quiroga ◽  
Dayana Pantoja ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
High Yield ◽  
Stacking Interactions ◽  
Tert Butyl ◽  
Compound C ◽  
Π Stacking ◽  
Centrosymmetric Dimers ◽  
Hydrogen Bonded

The title compound, C27H25Cl2N3, is an unexpected but high-yield product from the microwave-mediated reaction between 3-tert-butyl-N-4-chlorobenzyl-1-phenyl-1H-pyrazol-5-amine and 4-chlorobenzaldehyde. Inversion-related pairs of molecules are linked by C—H...π(arene) hydrogen bonds to form cyclic centrosymmetric dimers, and dimers of this type are linked into sheets by two independent π–π stacking interactions.

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