Your browser doesn't support javascript.
loading
Show: 20 | 50 | 100
Results 1 - 7 de 7
Filter
Add more filters










Database
Language
Publication year range
1.
IUCrdata ; 5(Pt 4): x200427, 2020 Apr.
Article in English | MEDLINE | ID: mdl-36338298

ABSTRACT

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, mol-ecules are linked into [010] chains by weak C-H⋯O inter-actions.

2.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 10): o762-3, 2015 Oct 01.
Article in English | MEDLINE | ID: mdl-26594465

ABSTRACT

In the title thio-phene derivative, C13H18N2O3S, the dihedral angles between the thio-phene ring and the [(di-methyl-amino)-methyl-idene]amino side chain (r.m.s. deviation = 0.009 Å) and the -CO2 ester group are 3.01 (16) and 59.9 (3)°, respectively. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R 2 (2)(16) loops. The dimers are linked by another weak C-H⋯O inter-action, forming chains along [001]. In addition, weak C-H⋯π inter-actions are observed, which link the chains into (001) layers.

3.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 10): o764-5, 2015 Oct 01.
Article in English | MEDLINE | ID: mdl-26594466

ABSTRACT

The title mol-ecular salt, C21H25N2O5S(+)·Cl(-), crystallizes with two ion pairs in the asymmetric unit. The cations have similar conformations (r.m.s. overlay fit = 0.40 Å), with one of them showing disorder of the terminal methyl group of the ester in a 0.72 (2):0.28 (2) ratio. In the first cation, the 3,4-dimeth-oxy-substituted phenyl ring subtends a dihedral angle of 88.38 (7)° with the pyrimidine ring and 6.79 (8)° with the thia-zole ring. The equivalent data for the second cation are 89.97 (3) and 6.42 (7)°, respectively. The pyrimidine ring adopts a sofa conformation in each cation. In the crystal, the components are linked by N-H⋯Cl hydrogen bonds, generating isolated ion pairs. The ion pairs are are linked by C-H⋯O inter-actions, generating a three-dimensional network. In addition, a weak C-H⋯π inter-action is observed.

4.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 7): o477-8, 2015 Jul 01.
Article in English | MEDLINE | ID: mdl-26279917

ABSTRACT

In the title compound, C17H18N2O3S2, the pyrimidine ring adopts a shallow sofa conformation, with the C atom bearing the axially-oriented thio-phene ring as the flap [deviation = 0.439 (3) Å]. The plane of the thio-phene ring lies almost normal to the pyrimidine ring, making a dihedral angle of 79.36 (19)°. In the crystal, pairs of very weak C-H⋯O hydrogen bonds link the mol-ecules related by twofold rotation axes, forming R 2 (2)(18) rings, which are in turn linked by another C-H⋯O inter-action, forming chains of rings along [010]. In addition, weak C-H⋯π(thio-phene) inter-actions link the chains into layers parallel to [001] and π-π inter-actions with a centroid-centroid distance of 3.772 (10) Šconnect these layers into a three-dimensional network.

5.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 12): o908-9, 2015 Dec 01.
Article in English | MEDLINE | ID: mdl-26870521

ABSTRACT

In the title compound, C16H23N3O3S, the dihedral angles between the thio-phene ring and the almost planar di-methyl-amino-methyl-ene-amino (r.m.s. deviation = 0.005 Å) and di-methyl-amino-acryloyl (r.m.s. deviation = 0.033 Å) substituents are 6.99 (8) and 6.69 (7)°, respectively. The ester CO2 group subtends a dihedral angle of 44.92 (18)° with the thio-phene ring. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R (2) 2(14) loops. In addition, a weak C-H⋯π inter-action is observed.

6.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 11): o1204, 2014 Nov 01.
Article in English | MEDLINE | ID: mdl-25484830

ABSTRACT

In the title mol-ecule, C20H22N2O4S, the pyrimidine ring is in a flattened half-chair conformation and the 3-meth-oxyphenyl substituent is in an axial arrangement. The thia-zole ring forms a dihedral angle of 81.3 (1)° with the benzene ring. In the crystal, weak C-H⋯S inter-actions link mol-ecules into chains along [001]. In addition, there are π-π inter-actions between inversion-related thia-zole rings with a centroid-centroid distance of 3.529 (2) Å. The ethyl group was refined as disordered over two sets of sites with an occupancy ratio of 0.52 (3):0.48 (2).

7.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 12): o1253, 2014 Dec 01.
Article in English | MEDLINE | ID: mdl-25553028

ABSTRACT

The asymmetric unit of the title compound, C15H21N3OSi, contains two mol-ecules with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.163 Å). The dihedral angles between the planes of the 1,2,3-triazole and 2,4-di-methyl-benzene rings are 27.0 (3) and 19.5 (3)°. In the crystal, mol-ecules are linked by very weak C-H⋯O and C-H⋯N hydrogen bonds to generate [100] chains. The chains are cross-linked by C-H⋯π inter-actions.

SELECTION OF CITATIONS
SEARCH DETAIL
...