scholarly journals 2,8-Dimethyltricyclo[5.3.1.13,9]dodecane-syn-2,syn-8-diol–propanoic acid (1/1)

2009 ◽  
Vol 65 (6) ◽  
pp. o1241-o1241 ◽  
Author(s):  
Yuji Mizobe ◽  
Roger Bishop ◽  
Donald C. Craig ◽  
Marcia L. Scudder
Keyword(s):  
Carboxylic Acid ◽  
Layer Structure ◽  
Acid Group ◽  
Propanoic Acid ◽  
Monoclinic Space Group ◽  
Carboxylic Acid Group ◽  
Screw Axis ◽  
Supramolecular Synthon ◽  
Compound C ◽  
Hydrogen Bonded

The racemic title compound, C14H24O2·C3H6O2, crystallizes in the monoclinic space groupP21/cas a 1:1 diol/carboxylic acid cocrystal,A–B. The lattice incorporates infinite chains of the alcohol–carboxylic acid–alcohol supramolecular synthon, (...O—H...O=C(R)—O—H...O—H...), in which the hydrogen-bonded molecules (A—B—A)nsurround a pseudo-threefold screw axis. The carboxylic acid group functions like an extended alcohol hydroxy group. Each diol,A, takes part in two such threefold screw arrangements, leading to a hydrogen-bonded layer structure, with adjacent layers containing diol molecules of opposite handedness. The central C atom of the propano bridge is disordered over two sites of occupancies 0.75 (1) and 0.25 (1). The methyl group of the propanoic acid molecule is disordered over two sites of occupancies 0.68 (1) and 0.32 (1).

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)°.

scholarly journals Crystal structure of (E)-4-{2-[4-(allyloxy)phenyl]diazenyl}benzoic acid

2014 ◽  
Vol 70 (12) ◽  
pp. 499-502
Author(s):  
Md. Lutfor Rahman ◽  
Mashitah Mohd. Yusoff ◽  
Jamil Ismail ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Title Compound ◽  
Acid Group ◽  
Dihedral Angles ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Benzene Rings

The title compound, C16H14N2O3, has anEconformation about the azobenzene [—N=N– = 1.2481 (16) Å] linkage. The benzene rings are almost coplanar [dihedral angle = 1.36 (7)°]. The O atoms of the carboxylic acid group are disordered over two sets of sites and were refined with an occupancy ratio of 0.5:0.5. The two disordered components of the carboxylic acid group make dihedral angles of 1.5 (14) and 3.8 (12)° with the benzene ring to which they are attached. In the crystal, molecules are linkedviapairs of O—H...O hydrogen bonds, forming inversion dimers. The dimers are connectedviaC—H...O hydrogen bonds, forming ribbons lying parallel to [120]. These ribbons are linkedviaC—H...π interactions, forming slabs parallel to (001).

The Crystal Structure of Acifluorfen {5-[2-Chloro-4-(trifluoromethyl)-phenoxy]-2-nitrobenzoic Acid}

1987 ◽  
Vol 40 (6) ◽  
pp. 1131 ◽  
Author(s):  
CHL Kennard ◽  
G Smith ◽  
T Hari
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Phenyl Ring ◽  
Acid Group ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Carboxylic Acid Group ◽  
X Ray ◽  
Nitrobenzoic Acid ◽  
Cell Dimensions

The crystal structure of the herbicide acifluorfen (5-[(2-chloro-4-trifluoromethyl)]phenoxy-2- nitrobenzoic acid] has been determined by X-ray diffraction and refined to a residual of 0.051for 1124 observed reflections. Crystals are monoclinic, space group C2/c with cell dimensions a 26.848(7), b 8 .O29(2), c 19 .Ol4(6) �, ,R l34.72(2)� and Z 8. The molecules form centrosymmetric hydrogen-bonded cyclic dimers [O---0, 2.637(7) �] with the carboxylic acid group and the phenoxy group synclinally related to the first phenyl ring while the nitro substituent isessentially coplanar with the ring.

scholarly journals 2-(1H-Tetrazol-1-yl)acetic acid monohydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o2561-o2561
Author(s):  
Wen-Xiang Wang
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Acid Group ◽  
Two Dimensional ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Dimensional Network

The crystal structure of the title compound, C3H4N4O2·H2O, exhibits O—H...O and O—H...N hydrogen bonds, which lead to the formation of a two-dimensional network parallel to thebcplane. The dihedral angle between the ring and the carboxylic acid group is 84.6 (14)°.

scholarly journals 4,4′-Dimethoxybiphenyl-3,3′-dicarboxylic acid

2014 ◽  
Vol 70 (5) ◽  
pp. o615-o615 ◽  
Author(s):  
Fredrik Lundvall ◽  
David Stephen Wragg ◽  
Pascal D. C. Dietzel ◽  
Helmer Fjellvåg
Keyword(s):  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Dicarboxylic Acid ◽  
Title Compound ◽  
Methoxy Group ◽  
Acid Group ◽  
Asymmetric Unit ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Solvothermal Conditions

The title compound, C16H14O6, was recrystallized under solvothermal conditions. The molecules are located on inversion centres, with one complete molecule generated from the asymmetric unit by inversion. There are intramolecular O—H...O hydrogen bonds involving the carboxylic acid group and the O atom of the adjacent methoxy group. In the crystal, molecules are linkedviaO—H...O hydrogen bonds, forming chains propagating along [100]. The chains are linkedviaC—H...O hydrogen bonds, forming sheets parallel to (001).

scholarly journals Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium chloride 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate: a new polymorph ofL-dopa HCl and isotypic with its bromide counterpart

2016 ◽  
Vol 72 (11) ◽  
pp. 1628-1632
Author(s):  
Perumal Kathiravan ◽  
Thangavelu Balakrishnan ◽  
Perumal Venkatesan ◽  
Kandasamy Ramamurthi ◽  
María Judith Percino ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
Positive Charge ◽  
Acid Group ◽  
Hirshfeld Surface ◽  
Monoclinic Space Group ◽  
Amino Group ◽  
Carboxylic Acid Group ◽  
Acta Cryst ◽  
Space Group ◽  
Molecular Salt

The title molecular salt, C9H12NO4+·Cl−·C9H11NO4, is isotypic with that of the bromide counterpart [Kathiravanet al.(2016).Acta Cryst.E72, 1544–1548]. The title salt is a second monoclinic polymorph of the L-dopa HCl structure reported earlier in the monoclinic space groupP21[Jandacek & Earle (1971).Acta Cryst.B27, 841–845; Mostad & Rømming (1974).Acta Chemica Scand.B28, 1161–1168]. In the title compound, monoclinic space groupI2, one of the dopa molecules has a positive charge with a protonated α-amino group and the α-carboxylic acid group uncharged, while the second dopa molecule has a neutral charge, the α-amino group is protonated and the α-carboxylic acid is deprotonated. In the previously reported form, a single dopa molecule is observed in which the α-amino group is protonated and the α-carboxylic acid group is uncharged. The invariant and variations of various types of intermolecular interactions present in these two forms of dopa HCl structures are discussed with the aid of two-dimensional fingerprint plots.

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.

scholarly journals 4-Bromo-2-hydroxybenzoic acid

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
P. A. Suchetan ◽  
V. Suneetha ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
P. Krishna Murthy
Keyword(s):  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Title Compound ◽  
Acid Group ◽  
Hydroxybenzoic Acid ◽  
Carboxylic Acid Group ◽  
One Dimensional ◽  
Compound C

In the title compound, C7H5BrO3, the dihedral angle between the aromatic ring and the carboxylic acid group is 4.8 (4)°, and an intramolecular O—H...O hydrogen bond closes anS(6) ring. In the crystal, carboxylic acid inversion dimers linked by pairs of O—H...O hydrogen bonds generateR22(8) loops. Short Br...Br contacts [3.4442 (5) Å] between the molecules of the adjacent dimers leads to a one-dimensional architecture.

scholarly journals A monoclinic polymorph of 2-(4-nitrophenyl)acetic acid

IUCrData ◽  
2016 ◽  
Vol 1 (12) ◽  
Author(s):  
Alan R. Kennedy ◽  
Lygia Silva de Moraes
Keyword(s):  
Acetic Acid ◽  
Carboxylic Acid ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Molecular Conformation ◽  
Acid Group ◽  
Carboxylic Acid Group ◽  
Monoclinic Form ◽  
Intermolecular Contacts ◽  
Hydrogen Bonded

A new monoclinic form of 4-nitrophenylacetic acid, C8H7NO4, (I), differs from the known orthorhombic form both in its molecular conformation and in its intermolecular contacts. The conformation is different as the plane of the carboxylic acid group in (I) is more nearly perpendicular to the plane of the aromatic ring [dihedral angle = 86.9 (3)°] than in the previous form (74.5°). Both polymorphs display hydrogen-bondedR22(8) carboxylic acid dimeric pairs, but in (I), neighbouring dimers interact through nitro–nitro N...O dipole–dipole contacts rather than the nitro–carbonyl contacts found in the orthorhombic form.

scholarly journals Crystal structure of 2-benzenesulfonamido-3-hydroxypropanoic acid

2015 ◽  
Vol 71 (11) ◽  
pp. o902-o903
Author(s):  
Nabila Jabeen ◽  
Misbah Mushtaq ◽  
Muhammad Danish ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Asam Raza
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Acid Group ◽  
Carboxylic Acid Group ◽  
Sulfonyl Group ◽  
Compound C

In the title compound, C9H11NO5S, the O=S=O plane of the sulfonyl group is twisted at a dihedral angle of 52.54 (16)° with respect to the benzene ring. The dihedral angle between the carboxylic acid group and the benzene ring is 49.91 (16)°. In the crystal, C—H...O, N—H...O and O—H...O hydrogen bonds link the molecules into (001) sheets.

Sign in / Sign up

Export Citation Format

Share Document