6-Methyl-4-{[4-(trimethylsilyl)-1H-1,2,3-triazol-1-yl]methyl}-2H-chromen-2-one

In the title compound, C16H19N3O2Si, the dihedral angle between the coumarin ring system (r.m.s. deviation = 0.031 Å) and the triazole ring is 73.81 (8)°. In the crystal, molecules are linked into [010] chains by weak C—H...O interactions.

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Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate

IUCrData ◽

10.1107/s2414314617011191 ◽

2017 ◽

Vol 2 (8) ◽

Author(s):

Yunfei Li ◽

Yongmei Xiao ◽

Xinchi Zhang ◽

Liangru Yang ◽

Jinwei Yuan ◽

...

Keyword(s):

Hydrogen Bonds ◽

Dihedral Angle ◽

Title Compound ◽

Ring System ◽

Stacking Interactions ◽

Phosphonate Group ◽

Compound C ◽

Π Stacking ◽

Methoxy Groups ◽

Coumarin Ring

In the title compound, C12H13O6P, the coumarin ring system is essentially planar [dihedral angle between the rings = 1.32 (16)°] and the methoxy groups and double-bonded O atom of the phosphonate group are disordered over two sets of sites [occupancy ratio 0.537 (2):0.463 (2)]. In the crystal, C—H...O hydrogen bonds involving the disordered phosphonate O atom as acceptor occur, which generate [100] chains. Weak C—H...O and aromatic π–π stacking interactions [minimum centroid–centroid separation = 3.713 (2) Å] are also observed.

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4-[(4-Hydroxymethyl-2H-1,2,3-triazol-2-yl)methyl]-6,8-dimethyl-2H-chromen-2-one

IUCrData ◽

10.1107/s2414314616016448 ◽

2016 ◽

Vol 1 (10) ◽

Author(s):

Nasseem El-Khatatneh ◽

Chandra ◽

D. Shamala ◽

K. Shivashankar ◽

M. Mahendra

Keyword(s):

Hydrogen Bonds ◽

Title Compound ◽

Three Dimensional ◽

Triazole Ring ◽

Ring System ◽

Ring Plane ◽

Hydroxymethyl Group ◽

Compound C ◽

Dimensional Network ◽

Coumarin Ring

In the title compound, C15H15N3O3, the dihedral angle between the triazole ring and coumarin ring system [r.m.s. deviation = 0.040 Å] is 77.40 (6)°. The O atom of the hydroxymethyl group deviates from the triazole ring plane by 1.345 (1) Å. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generate R 2 2(22) loops; C—H...O and C—H...N interactions link the dimers into a three-dimensional network.

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3-Benzoyl-7-methoxy-2H-chromen-2-one

IUCrData ◽

10.1107/s241431461700373x ◽

2017 ◽

Vol 2 (3) ◽

Author(s):

Weijie Li ◽

Yongmei Xiao ◽

Jinwei Yuan ◽

Liangru Yang ◽

Pu Mao

Keyword(s):

Dihedral Angle ◽

Title Compound ◽

Phenyl Ring ◽

Three Dimensional ◽

Ring System ◽

Stacking Interactions ◽

Compound C ◽

Π Stacking ◽

Dimensional Network ◽

Coumarin Ring

In the title compound, C17H12O4, the dihedral angle between the coumarin ring system (r.m.s. deviation = 0.018 Å) and the phenyl ring is 55.96 (8)°. In the crystal, weak C—H...O interactions connect the molecules into a three-dimensional network and aromatic π–π stacking interactions are also observed [shortest centroid–centroid separation = 3.6692 (9) Å].

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3-Benzoyl-4-methyl-2-oxo-2H-chromen-7-yl acetate

IUCrData ◽

10.1107/s2414314618000159 ◽

2018 ◽

Vol 3 (1) ◽

Author(s):

Yi Cao ◽

Wenpeng Mai ◽

Jinwei Yuan

Keyword(s):

Dihedral Angle ◽

Title Compound ◽

Three Dimensional ◽

Ring System ◽

Compound C ◽

Dimensional Network ◽

Benzoyl Group ◽

Coumarin Ring

In the title compound, C19H14O5, the dihedral angle between the coumarin ring system (r.m.s. deviation = 0.026 Å) and the pendant benzoyl group is 81.91 (7)°. In the crystal, weak C—H...O interactions link the molecules into a three-dimensional network.

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Crystal structure of 4-bromophenyl-2-oxo-2H-chromene-3-carboxylate

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989015006738 ◽

2015 ◽

Vol 71 (5) ◽

pp. o326-o327

Author(s):

H. C. Devarajegowda ◽

P. A. Suchetan ◽

H. T. Srinivasa ◽

S. Sreenivasa ◽

B. S. Palakshamurthy

Keyword(s):

Crystal Structure ◽

Dihedral Angle ◽

Title Compound ◽

Ring System ◽

Π Interactions ◽

Compound C ◽

Coumarin Ring

In the title compound, C16H9BrO4, the coumarin ring system is approximately planar, with an r.m.s deviation of the ten fitted non-H atoms of 0.031 Å, and forms a dihedral angle of 25.85 (10)° with the bromobenzene ring. The carbonyl atoms aresyn. In the crystal, molecules are connected along [001]viaC—H...O interactions, formingC(6) chains. NeighbouringC(6) chains are connectedviaseveral π–π interactions [range of centroid–centroid distances = 3.7254 (15)–3.7716 (16) Å], leading to sheets propagating in thebcplane.

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(2-Oxo-2H-benzo[h]chromen-4-yl)methyl morpholine-4-carbodithioate

Acta Crystallographica Section E Structure Reports Online ◽

10.1107/s160053681201094x ◽

2012 ◽

Vol 68 (4) ◽

pp. o1104-o1105 ◽

Cited By ~ 4

Author(s):

Rajni Kant ◽

Vivek K. Gupta ◽

Kamini Kapoor ◽

Gurvinder Kour ◽

K. Mahesh Kumar ◽

...

Keyword(s):

Dihedral Angle ◽

Title Compound ◽

Crystal Packing ◽

Chair Conformation ◽

Ring System ◽

Π Interactions ◽

Compound C ◽

Benzene Rings ◽

Morpholine Ring ◽

Coumarin Ring

In the title compound, C19H17NO3S2, the morpholine ring is in a chair conformation. In the coumarin ring system, the dihedral angle between the benzene and pyran rings is 3.9 (1)°. In the crystal, weak C—H...O interactions link the molecules into corrugated layers parallel to (102). The crystal packing also exhibits π–π interactions, with distances of 3.644 (1) and 3.677 (1) Å between the centroids of the benzene rings of neighbouring molecules.

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Crystal structure of 4-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989015006970 ◽

2015 ◽

Vol 71 (6) ◽

pp. o374-o375 ◽

Cited By ~ 1

Author(s):

H.C. Devarajegowda ◽

P. A. Suchetan ◽

S. Sreenivasa ◽

H. T. Srinivasa ◽

B. S. Palakshamurthy

Keyword(s):

Crystal Structure ◽

Benzene Ring ◽

Dihedral Angle ◽

Title Compound ◽

Three Dimensional ◽

Ring System ◽

Π Interactions ◽

Compound C ◽

Dimensional Network ◽

Coumarin Ring

In the title compound, C17H12O5, the dihedral angle between the planes of the coumarin ring system (r.m.s. deviation = 0.015 Å) and the benzene ring is 48.04 (10)°. The central CO2group subtends a dihedral angle of 27.15 (11)° with the coumarin ring system and 74.86 (13)° with the benzene ring. In the crystal, molecules are linked by C—H...O interactions, which generate a three-dimensional network. Very weak C—H...π interactions are also observed.

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2-Oxo-2H-chromen-3-yl 4-fluorobenzoate

IUCrData ◽

10.1107/s2414314617005508 ◽

2017 ◽

Vol 2 (4) ◽

Author(s):

Eric Ziki ◽

Siaka Sosso ◽

Lamine Cissé ◽

Guy Euloge Bany ◽

Abdoulaye Djandé ◽

...

Keyword(s):

Benzene Ring ◽

Dihedral Angle ◽

Title Compound ◽

Three Dimensional ◽

Ring System ◽

Maximum Deviation ◽

Π Interactions ◽

Compound C ◽

Coumarin Ring

In the title compound, C16H9FO4, the dihedral angle between the planar coumarin ring system [maximum deviation = 0.027 (1) Å] and the benzene ring is 70.18 (6)°. In the crystal, π–π interactions [shortest centroid–centroid separation = 3.5338 (8) Å] link the molecules into a three-dimensional framework.

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2-Oxo-2H-chromen-3-yl benzoate

IUCrData ◽

10.1107/s2414314617006630 ◽

2017 ◽

Vol 2 (5) ◽

Cited By ~ 2

Author(s):

Konan René Kambo ◽

Siaka Sosso ◽

F. Mansilla-Koblavi ◽

Abdoulaye Djandé ◽

Rita Kakou-Yao

Keyword(s):

Dihedral Angle ◽

Title Compound ◽

Dft Calculation ◽

Three Dimensional ◽

Ring System ◽

Π Interactions ◽

Compound C ◽

A Value ◽

Dimensional Network ◽

Coumarin Ring

In the title compound, C16H10O4, the dihedral angle between the coumarin ring system (r.m.s. deviation = 0.015 Å) and the benzoate group is 83.58 (9)°, which compares to a value of 81.8° obtained from a DFT calculation at the B3LYP/6–311 G(d,p) level. In the crystal, C—O...π and C—H...π interactions and aromatic π–π [Cg...Cg= 3.7214 (14) and 3.7059 (14) Å] stacking generate a three-dimensional network.

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