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.

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.

scholarly journals Crystal structure ofN1-phenyl-N4-[(quinolin-2-yl)methylidene]benzene-1,4-diamine

2014 ◽  
Vol 70 (9) ◽  
pp. o905-o906 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Ashraf Mashrai ◽  
Saleem Garandal ◽  
M. Shahid
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Bond Angle ◽  
Ring System ◽  
Dihedral Angles ◽  
Quinoline Ring ◽  
Compound C

In the title compound, C22H17N3, the dihedral angles between the central benzene ring and the terminal phenyl ring and quinoline ring system (r.m.s. deviation = 0.027 Å) are 44.72 (7) and 9.02 (4)°, respectively, and the bond-angle sum at the amine N atom is 359.9°. In the crystal, the N—H group is not involved in hydrogen bonding and the molecules are linked by weak C—H...π interactions, generating [010] chains.

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.

Dimethyl 3t,4t-dicarboxytetrahydrofuran-2r,5c-dicarboxylate

2006 ◽  
Vol 62 (5) ◽  
pp. o1724-o1726 ◽  
Author(s):  
Claude Villiers ◽  
Pierre Thuéry ◽  
Michel Ephritikhine
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Title Compound ◽  
Membered Ring ◽  
Tetracarboxylic Acid ◽  
Carboxylic Acid Groups ◽  
Compound C ◽  
Twist Conformation

Esterification of tetrahydrofuran-2r,3t,4t,5c-tetracarboxylic acid gave selectively the title compound, C10H12O9, in which the two more acidic carboxylic acid groups, in positions 2 and 5, have been esterified. The five-membered ring is in a twist conformation. Hydrogen bonding results in double chains, or ribbons, running along the c axis.

scholarly journals Crystal structure of 4-{[(naphthalen-2-yl)sulfonylamino]methyl}cyclohexanecarboxylic acid

2015 ◽  
Vol 71 (3) ◽  
pp. o145-o145 ◽  
Author(s):  
Muhammad Danish ◽  
Muhammad Nawaz Tahir ◽  
Asif Hussain ◽  
Muhammad Ashfaq ◽  
Muhammad Nadeem Sadiq
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Tranexamic Acid ◽  
Title Compound ◽  
Π Interactions ◽  
Carboxylic Acid Groups ◽  
Compound C ◽  
Thick Layers

The title compound, C18H21NO4S, is a new sulfonamide derivative of tranexamic acid. In the crystal, molecules form inversion dimersviaO—H...O hydrogen bonds involving the carboxylic acid groups. Hydrogen bonding between the sulfonamide N—H group and the carboxylic acid O atom assembles the dimers into thick layers parallel to (100). The naphthalene groups of adjacent layers are arranged in a herring-bone motif. There are C—H...π interactions between the naphthalene rings of neighbouring layers.

scholarly journals 4′-[2-(2-Ethoxyethoxy)ethoxy]biphenyl-4-carboxylic acid: correlation between its crystalline and smectic phases

2009 ◽  
Vol 65 (3) ◽  
pp. o81-o84 ◽  
Author(s):  
Rosana S. Montani ◽  
Raúl O. Garay ◽  
Fabio D. Cukiernik ◽  
Maria T. Garland ◽  
Ricardo Baggio
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Title Compound ◽  
Carboxyl Groups ◽  
Hydrogen Bonding Interaction ◽  
Compound C ◽  
Smectic Phases ◽  
Bonding Interaction ◽  
Smectic Mesophase

The crystal structure of the dimeric title compound, C19H22O5, is dominated by a head-to-head hydrogen-bonding interaction between centrosymmetrically related carboxyl groups in each monomer. The result is a dimeric axis of unusual length (ca34 Å), but still shorter than what could be expected for a fully extended chain, owing to two turning points in the oligoethoxy ends. This allows for an explanation of the structure of the smectic mesophase exhibited by this compound and at the same time fully validates former geometric estimations based on PM3 calculations.

scholarly journals The β-form of trans-3-(2-nitrophenyl)prop-2-enoic acid at 130 K

2006 ◽  
Vol 62 (5) ◽  
pp. o2024-o2026 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth ◽  
David J. Young ◽  
Jonathan M. White
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Title Compound ◽  
Enoic Acid ◽  
Polymorphic Modification ◽  
One Dimensional ◽  
Compound C

The crystal structure of a non-centrosymmetric polymorphic modification of the title compound, C9H7NO4, determined at 130 K, shows the presence of 21 screw-generated one-dimensional zigzag chains formed through catemeric C(4) syn–anti carboxylic acid hydrogen-bonding associations.

The inner salt 4-carboxy-2-(pyridinium-4-yl)-1H-imidazole-5-carboxylate monohydrate

2006 ◽  
Vol 62 (7) ◽  
pp. o2751-o2752 ◽  
Author(s):  
Ting Sun ◽  
Jian-Ping Ma ◽  
Ru-Qi Huang ◽  
Yu-Bin Dong
Keyword(s):  
Carboxylic Acid ◽  
Dihedral Angle ◽  
Title Compound ◽  
Acid Group ◽  
Planar Structure ◽  
Carboxyl Group ◽  
Carboxylic Acid Group ◽  
Pyridyl Group ◽  
Compound C

In the title compound, C10H7N3O4·H2O, one carboxyl group is deprotonated and the pyridyl group is protonated. The inner salt molecule has a planar structure, apart from the carboxylic acid group, which is tilted from the imidazole plane by a small dihedral angle of 7.3 (3)°.

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

2-Hydroxy-3-methoxybenzaldehyde (pyridinium-4-ylcarbonyl)hydrazone chloride hemihydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o2043-o2044 ◽  
Author(s):  
Shao-Wen Chen ◽  
Han-Dong Yin ◽  
Da-Qi Wang ◽  
Xia Kong ◽  
Xiao-Fang Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Compound C

The crystal structure of the title compound, C14H14ClN3O3 +·Cl−·0.5H2O, exhibits O—H...O, C—H...O, C—H...Cl, N—H...Cl and O—H...Cl hydrogen bonds. The chloride anions participate in extensive hydrogen bonding with the aminium cations and link molecules through multiple N—H+...Cl− interactions.

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