scholarly journals Crystal structure of (E)-hex-2-enoic acid

2015 ◽  
Vol 71 (5) ◽  
pp. o323-o323 ◽  
Author(s):  
Tim Peppel ◽  
Marcel Sonneck ◽  
Anke Spannenberg ◽  
Sebastian Wohlrab
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Enoic Acid ◽  
Acid Molecule ◽  
Unsaturated Carboxylic Acid ◽  
Compound C

The crystal structure of the title compound, C6H10O2, an α,β-unsaturated carboxylic acid, displays carboxylic acid inversion dimers linked by pairs of O—H...O hydrogen bonds. The packing is characterized by layers of acid dimers. All the non-H atoms of the (E)-hex-2-enoic acid molecule lie almost in the same plane (r.m.s. deviation for the non-H atoms = 0.018 Å).

scholarly journals Crystal structure of (E)-pent-2-enoic acid

2015 ◽  
Vol 71 (5) ◽  
pp. o316-o316 ◽  
Author(s):  
Tim Peppel ◽  
Marcel Sonneck ◽  
Anke Spannenberg ◽  
Sebastian Wohlrab
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Enoic Acid ◽  
Maximum Displacement ◽  
Unsaturated Carboxylic Acid ◽  
Compound C ◽  
Centrosymmetric Dimers

The molecule of the title compound, C5H8O2, a low-melting α,β-unsaturated carboxylic acid, is essentially planar [maximum displacement = 0.0239 (13) Å]. In the crystal, molecules are linked into centrosymmetric dimersviapairs of O—H...O hydrogen bonds.

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 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 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).

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 Crystal structure and Hirshfeld analysis of 2-[bis(1-methyl-1H-indol-3-yl)methyl]benzoic acid

2018 ◽  
Vol 74 (11) ◽  
pp. 1580-1583
Author(s):  
Suhaila Sapari ◽  
Sheryn Wong ◽  
Mohammad Fadzlee Ngatiman ◽  
Huda Misral ◽  
Siti Aishah Hasbullah
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Title Compound ◽  
Hirshfeld Surface ◽  
Dihedral Angles ◽  
Acid Moiety ◽  
Compound C ◽  
Hirshfeld Analysis

In the title compound, C26H22N2O2, the dihedral angles between the 1-methylindole units (A and B) and the benzoic acid moiety (C) are A/B = 64.87 (7), A/C = 80.92 (8) and B/C = 75.05 (8)°. An intramolecular C—H...O interaction arising from the methyne group helps to establish the conformation. In the crystal, R 2 2(8) carboxylic acid inversion dimers linked by pairs of O—H...O hydrogen bonds are observed. A Hirshfeld surface analysis shows that the greatest contributions are from H...H, C...H/H...C and O...H/H...O contacts (percentage values = 54.6%, 29.6% and 10.1%, respectively).

scholarly journals 2-(3-Benzoylthioureido)-3-phenylpropanoic acid

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
Yan Yi Chong ◽  
Mohamed Ibrahim Mohamed Tahir ◽  
Mohammad B. Kassim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Compound C

In the title compound, C17H16N2O3S, the phenylpropanoic acid and the benzoyl moieties adopt acis–transconformation, respectively, with respect to the thiono S atom across the C—N bonds. An intramolecular N—H...O hydrogen bond generates anS(6) ring. The crystal structure features carboxylic acid inversion dimers and pairwise N—H...S hydrogen bonds, which together generate [20-1] chains. Weak C—H...O hydrogen bonds are also observed.

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 Crystal structure of olivetolic acid: a natural product fromCetrelia sanguinea(Schaer.)

2016 ◽  
Vol 72 (11) ◽  
pp. 1587-1589 ◽  
Author(s):  
Friardi Ismed ◽  
Aulia Farhan ◽  
Amri Bakhtiar ◽  
Erizal Zaini ◽  
Yuda Prasetya Nugraha ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Natural Product ◽  
Title Compound ◽  
Alkyl Chain ◽  
Acid Molecule ◽  
Pharmacological Activities ◽  
Compound C

The title compound, C12H16O4(systematic name: 2,4-dihydroxy-6-pentylbenzoic acid) is a natural product isolated fromC. sanguinea(Schaer.) and is reported to have various pharmacological activities. The molecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.096 Å) and features an intramolecular O—H...O hydrogen bond. In the crystal, each olivetolic acid molecule is connected to three neighboursviaO—H...O hydrogen bonds, generating (10-1) sheets. This crystal is essentially isostructural with a related resorcinolic acid with a longer alkyl chain.

1,2-Dihydrobenzocyclobutene-4-carboxylic acid

2006 ◽  
Vol 62 (7) ◽  
pp. o2646-o2647
Author(s):  
Zhi-Qiang Feng ◽  
Bin Xu ◽  
Wei Cheng ◽  
Jin-Tang Wang
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Compound C

In the molecule of the title compound, C9H8O2, the benzocyclobutene system is nearly planar. In the crystal structure, intermolecular O—H...O hydrogen bonds link the molecules into dimers along the c axis.

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