scholarly journals Crystal structure of 4-(prop-2-yn-1-yloxy)benzonitrile

2015 ◽  
Vol 71 (2) ◽  
pp. o97-o98 ◽  
Author(s):  
Mayu Kanagawa ◽  
Tsunehisa Okuno
Keyword(s):  
Crystal Structure ◽  
Triple Bond ◽  
Cyano Group ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Sheet Structure ◽  
Close Contacts

In the title compound, C10H7NO, the dihedral angle between the aromatic ring and the prop-2-yn-1-yloxy grouping is 9.47 (10)°. The bond lengths indicate electronic conjugation between the cyano group, the benzene ring and the propynyloxy oxygen atom. In the crystal, a hydrogen bond between the acetylenic C—H atom and the cyano nitrogen atom link the molecules into wave-like [30-1] C(11) chains. These chains are connected by Csp2—H...πac(πacis the acetylinic C—C triple bond) close contacts [2.794 (1) Å], resulting in a rolling sheet structure parallel to theacplane and aromatic π–π stacking interactions between the sheets [centroid–centroid distance = 3.593 (2) Å] generate a three-dimensional network.

scholarly journals Crystal structure of 4,4′-dimethoxy-2,2′-bipyridine

2015 ◽  
Vol 71 (8) ◽  
pp. o623-o624
Author(s):  
Yukiko Kusano ◽  
Keiji Ohno ◽  
Takashi Fujihara
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Sheet Structure

In the title compound, C12H12N2O2, the dihedral angle between the planes of the two pyridine rings is 5.8 (1)°. Neighbouring molecules are linkedviaC(Me)—H...N interactions, generating a two-dimensional sheet structure; C—H...π interactions further link the molecules into a three-dimensional network. An overlapped arrangement of parallel pyridine rings in neighbouring molecules [centroid-to-centroid distance = 3.6655 (15) Å] is observed in the crystal structure.

scholarly journals Crystal structure of diethyl 2-[(2-sulfanylquinolin-3-yl)methylidene]malonate

2015 ◽  
Vol 71 (8) ◽  
pp. o594-o595 ◽  
Author(s):  
Rihanabanu ◽  
B. R. Anitha ◽  
T. G. Meenakshi ◽  
K. Mahesh Kumar ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Quinoline Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C17H17N O4S, the quinoline ring system is nearly planar, with a maximum deviation of 0.0496 (16) Å. A weak intramolecular C—H...O interaction is observed. In the crystal, C—H...O, S—H...N and π–π stacking interactions between the fused benzene ring of quinoline and the pyridine moieties [shortest centroid–centroid distance = 3.6754 (11) Å] are observed. Inversion-related weak C—H...O intermolecular interactions diagonally along [010], withR22(10) ring motifs, and S—H...N intermolecular interactions diagonally along [100], withR22(8) ring motifs, are present, forming a three-dimensional network structure. No classical hydrogen bonds are observed.

scholarly journals Crystal structure of 4-oxo-4H-chromene-3-carboxylic acid

2015 ◽  
Vol 71 (8) ◽  
pp. o580-o581 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Fused Ring ◽  
Intramolecular Hydrogen ◽  
Short Contacts

In the title compound, C10H6O4, also known as 3-carboxychromone, the non-H atoms of the chromone ring are essentially coplanar (r.m.s. deviation = 0.0057 Å), with the maximum deviation from their least-squares plane [0.011 (2) Å] being for a pyran C atom. The dihedral angle between the fused ring and plane of the carboxy group is 3.06 (2)°. An intramolecular hydrogen bond is formed between the ring carbonyl O atom and the carboxy O—H atom, closing anS(6) loop. In the crystal, molecules are assembled by stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.844 (3) Å] and C—H...O hydrogen bonds, generating a three-dimensional network. Short contacts are also observed between the carboxy O and C atoms [C=O...C=O = 3.002 (3) Å].

scholarly journals Crystal structure of 3-acetyl-4H-chromen-4-one

2015 ◽  
Vol 71 (7) ◽  
pp. o527-o527
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Stacking Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C11H8O3, the fused-ring system is almost planar (r.m.s. deviation = 0.020 Å), with the largest deviation from the least-squares plane [0.0462 (17) Å] being for a pyran C atom. The dihedral angle between the plane of the fused-ring system and acetyl plane is 5.149 (16)°. In the crystal, the fused rings are linked by aromatic π–π stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.643 (6) Å] and C—H...O hydrogen bonds, generating a three-dimensional network.

scholarly journals Crystal structure of 2-bromo-1,4-dihydroxy-9,10-anthraquinone

2014 ◽  
Vol 70 (10) ◽  
pp. o1130-o1130 ◽  
Author(s):  
Wataru Furukawa ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Chitoshi Kitamura
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In an attempt to brominate 1,4-dipropoxy-9,10-anthraquinone, a mixture of products, including the title compound, C14H7BrO4, was obtained. The molecule is essentially planar (r.m.s. deviation = 0.029 Å) and two intramolecular O—H...O hydrogen bonds occur. In the crystal, the molecules are linked by weak C—H...O hydrogen bonds, Br...O contacts [3.240 (5) Å], and π–π stacking interactions [shortest centroid–centroid separation = 3.562 (4) Å], generating a three-dimensional network.

scholarly journals Crystal structure of ethyl (2S,2′R)-1′-benzyl-3-oxo-3H-dispiro[1-benzothiophene-2,3′-pyrrolidine-2′,11′′-indeno[1,2-b]quinoxaline]-4′-carboxylate

2015 ◽  
Vol 71 (3) ◽  
pp. o195-o196
Author(s):  
J. Govindaraj ◽  
R. Raja ◽  
M. Suresh ◽  
R. Raghunathan ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Ring System ◽  
Side Chain ◽  
Dihedral Angles ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Quinoxaline Ring

In the title compound, C35H27N3O3S, the spiro-linked five-membered rings both adopt twisted conformations. The pyrrolidine ring makes dihedral angles of 80.5 (1) and 77.4 (9)° with the benzothiophene ring system and the quinoxaline ring system, respectively. The S atom and C=O unit of the benzothiophene ring system are disordered over two opposite orientations in a 0.768 (4):0.232 (4) ratio. The atoms of the ethyl side chain are disordered over two sets of sites in a 0.680 (16):0.320 (16) ratio. In the crystal, molecules are linked by C—H...O, C—H...N and π–π interactions [shortest centroid–centroid distance = 3.4145 (19) Å], resulting in a three-dimensional network.

scholarly journals 6,8-Diiodo-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (5) ◽  
pp. o536-o536
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Least Squares ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Halogen Bonds ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance

The title compound, C10H4I2O3, is an iodinated 3-formylchromone derivative, and the atoms are essentially coplanar [r.m.s. deviation = 0.049 Å, largest deviation from the least-squares plane = 0.111 (9) Å for the CH(=O) C atom]. In the crystal, molecules are linked into a three-dimensional network through halogen bonds [I...O = 3.352 (5) and 3.405 (7) Å, C—I...O = 144.2 (3) and 154.5 (3)°, and C=O...I = 134.9 (6) and 146.0 (6)°], and π–π stacking interactions [centroid–centroid distance = 3.527 (6) Å].

scholarly journals Crystal structure of (Z)-4-[1-(4-acetylanilino)ethylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

2015 ◽  
Vol 71 (1) ◽  
pp. 94-96 ◽  
Author(s):  
Refaat M. Mahfouz ◽  
Zeynep Demircioğlu ◽  
Mohamed S. Abbady ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Tautomeric Form ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Ring Motif

In the solid state, the title compound, C20H19N3O2, adopts the keto–amine tautomeric form, with the H atom attached to the N atom, which participates in an intramolecular N—H...O hydrogen bond with anS(6) ring motif. The dihedral angles between the pyrazole ring and the phenyl and benzene rings are 3.69 (10) and 46.47 (9)°, respectively. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, generatingC(16) chains propagating in [301]. Weak aromatic π–π stacking interactions [centroid–centroid distances = 3.6123 (10) and 3.6665 (10) Å] link the chains into a three-dimensional network.

scholarly journals Crystal structure of 2-{[(5-nitrothiophen-2-yl)methylidene]amino}phenol

2015 ◽  
Vol 71 (6) ◽  
pp. o418-o418 ◽  
Author(s):  
Figen Koçak ◽  
Hasan Tanak ◽  
Erbil Ağar ◽  
Onur Erman Doğan ◽  
Namık Özdemir
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Amino Phenol ◽  
Graph Set ◽  
Centrosymmetric Dimers ◽  
Ring Motif

The title compound, C11H8N2O3S, is roughly planar; the dihedral angle between the planes of the thiophene and benzene rings is 8.38 (10)°. An intramolecular O—H...N hydrogen bond generates anS(5) ring motif. In the crystal, molecules are linked into centrosymmetric dimers by pairs of O—H...O hydrogen bonds with anR22(22) graph-set motif. Aromatic π–π stacking interactions [centroid–centroid separations = 3.653 (3) and 3.852 (3) Å] link the dimers into a three-dimensional network.

scholarly journals N-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)benzenesulfonamide

2014 ◽  
Vol 70 (4) ◽  
pp. o445-o445
Author(s):  
Venkatesh B. Devaru ◽  
K. S. Katagi ◽  
O. Kotresh ◽  
H. K. Arunkashi ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

The asymmetric unit of the title compound, C13H11ClN4O2S, contains two molecules (AandB), in which the dihedral angles between the 1H-imidazo[4,5-c]pyridine system and terminal phenyl ring are 80.83 (10) and 62.34 (1)°. In the crystal,A–Bdimers are linked by pairs of N—H...N hydrogen bonds, which generateR22(10) loops. The dimers are linked by C—H...O and C—H...Cl interactions, generating a three-dimensional network. Aromatic π–π stacking interactions [shortest centroid–centroid distance = 3.5211 (12) Å] are also observed.

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