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1.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 4): o689, 2009 Mar 06.
Artigo em Inglês | MEDLINE | ID: mdl-21582431

RESUMO

The title compound, C(20)H(25)NO(4), was synthesized by a Mitsunobu reaction of sinomenine [(9S,13R,14R)-7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methylmorphinan-6-one] with methanol. The chiral centers were unchanged during the reaction. Intra-molecular C-H⋯O hydrogen bonds result in the formation of six-membered rings.

2.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 5): o983, 2009 Apr 08.
Artigo em Inglês | MEDLINE | ID: mdl-21584021

RESUMO

The title compound, C(20)H(22)Cl(2)N(3)O(4)PS, was synthesized by the reaction of N-(4-methoxy-benzyl-idene)-5-(2,4-dichloro-phenyl)-1,3,4-thia-diazol-2-amine and diethyl phosphite. In the crystal, inter-molecular C-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules.

3.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 10): o1884, 2008 Sep 06.
Artigo em Inglês | MEDLINE | ID: mdl-21201096

RESUMO

In the title compound, C(8)H(6)BrN(3)S, the thia-diazole ring is oriented at a dihedral angle of 48.35 (3)° with respect to the bromo-phenyl ring. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules.

4.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 3): o565, 2008 Feb 06.
Artigo em Inglês | MEDLINE | ID: mdl-21201908

RESUMO

The title compound, C(32)H(56)N(2), was synthesized by the reaction of terephthalaldehyde and dodecan-1-amine. The imines adopt trans conformations, with the two halves of the mol-ecule related to each other by a centre of symmetry.

5.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 3): o632, 2008 Feb 27.
Artigo em Inglês | MEDLINE | ID: mdl-21201963

RESUMO

In the title compound, C(16)H(18)N(4)O(7)S, a synthetic sulfonyl-urea herbicide, there are intra-molecular N-H⋯N and C-H⋯O hydrogen bonds. Inter-molecular N-H⋯O and C-H⋯O hydrogen bonds form centrosymmetric dimers. The dihedral angle between the two rings is 50.00 (15)°.

6.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 5): m692-3, 2008 Apr 23.
Artigo em Inglês | MEDLINE | ID: mdl-21202227

RESUMO

In the mol-ecule of the title compound, [ZnCl(2)(C(9)H(9)N(3)S)(2)], the Zn(II) atom is four-coordinated by two N atoms from two 5-m-tolyl-1,3,4-thia-diazol-2-ylamine ligands and two Cl anions in a distorted tetra-hedral geometry. Intra-molecular N-H⋯N, N-H⋯Cl and C-H⋯S hydrogen bonds result in the formation of one planar and one non-planar five-membered, one non-planar six-membered and one non-planar seven-membered ring. The six- and seven-membered rings have twist conformations, while the non-planar five-membered ring adopts an envelope conformation with the S atom displaced by 0.541 (3) Šfrom the plane of the other ring atoms. The planar five-membered ring is oriented at dihedral angles of 1.74 (3) and 1.08 (3)°, respectively, with respect to the adjacent aromatic and thia-diazole rings. In the crystal structure, inter-molecular N-H⋯Cl hydrogen bonds link the mol-ecules into a three-dimensional network.

7.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 5): o795, 2008 Apr 04.
Artigo em Inglês | MEDLINE | ID: mdl-21202287

RESUMO

In the mol-ecule of the title compound, C(18)H(13)Cl(2)N(3)O(2)S(2), the thia-zolidinone ring has an envelope conformation with the S atom displaced by 0.394 (3) Šfrom the plane of the other ring atoms. The thia-diazole ring is oriented at a dihedral angle of 7.40 (4)° with respect to the 4-methoxy-phenyl ring. Intra-molecular C-H⋯S, C-H⋯N and C-H⋯Cl hydrogen bonds result in the formation of two planar and two non-planar five-membered rings. The planar five-membered rings are oriented at a dihedral angle of 6.23 (3)°. The 2,4-dichloro-phenyl ring is oriented at dihedral angles of 84.21 (4) and 83.55 (3)° with respect to the thia-diazole and 4-methoxy-phenyl rings, respectively. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

8.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 7): o1218, 2008 Jun 07.
Artigo em Inglês | MEDLINE | ID: mdl-21202855

RESUMO

The title compound, C(15)H(10)ClF(3)N(2)O(3), is considered to belong to a fourth generation of insecticides with properties such as high selectivity, low acute toxicity for mammals and high biological activity. The dihedral angle between the two benzene rings is 59.3 (2)°. Intra-molecular C-H⋯O and N-H⋯O hydrogen bonds are observed. Inter-molecular N-H⋯O hydrogen bonding generates a centrosymmetric dimer. The F atoms are disordered over two positions; the site occupancy factors are 0.52 and 0.48.

9.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 7): o1359, 2008 Jun 28.
Artigo em Inglês | MEDLINE | ID: mdl-21202977

RESUMO

The title compound, C(18)H(14)FN(3)O(2)S(2), was synthesized by the reaction of 5-(4-fluoro-phen-yl)-N-(4-methoxy-benzyl-idene)-1,3,4-thia-diazol-2-amine and mercaptoacetic acid. The thia-zolidinone ring adopts a twist conformation. The 4-methoxy-phenyl ring is almost perpendicular to the thia-diazole ring, making a dihedral angle of 88.4 (3)°. The 4-fluoro-phenyl ring is nearly coplanar with the thia-diazole ring, the dihedral angle being 6.8 (3)°. The crystal structure involves C-H⋯N, C-H⋯O and C-H⋯S hydrogen bonds.

10.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 8): o1376, 2008 Jul 05.
Artigo em Inglês | MEDLINE | ID: mdl-21203097

RESUMO

The title compound, C(20)H(23)N(4)O(6)PS, was synthesized by the reaction of N-(4-methoxy-benzyl-idene)-5-(4-nitro-phen-yl)-1,3,4-thia-diazol-2-amine and diethyl phosphite. The thia-diazole and nitro-substituted phenyl rings in the mol-ecule are approximately coplanar, the dihedral angle being 5.3 (2)°. The dihedral angle formed by the mean plane through all non-H atoms of both the thia-diazole and the nitro-substituted phenyl ring with the plane of the meth-oxy-substituted phenyl ring is 48.9 (2)°. In the crystal structure, mol-ecules form centrosymmetric dimers as a result of N-H⋯O bonds involving amine H and phosphine oxide O atoms.

11.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 8): o1637, 2008 Jul 31.
Artigo em Inglês | MEDLINE | ID: mdl-21203326

RESUMO

In the mol-ecule of the title compound, C(17)H(15)N(3)O(3)S·0.5H(2)O, the thia-diazole ring is oriented with respect to the two 2-methoxy-phenyl rings at dihedral angles of 3.70 (3) and 1.74 (2)°. An intra-molecular N-H⋯O hydrogen bond results in the formation of a planar six-membered ring, which is oriented with respect to the thia-diazole ring at a dihedral angle of 1.33 (3)°. Thus, all of the rings are nearly coplanar. In the crystal structure, inter-molecular O-H⋯N and C-H⋯O hydrogen bonds link the mol-ecules.

12.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 1): o260, 2007 Dec 12.
Artigo em Inglês | MEDLINE | ID: mdl-21200825

RESUMO

The title compound, C(19)H(15)Cl(2)N(3)OS(2), was synthesized by the reaction of N-(2,4-dichloro-phen-yl)-5-(3,5-dimethyl-phen-yl)-1,3,4-thia-diazol-2-amine and mercaptoacetic acid. The thia-zolidinone ring adopts a twist conformation. The 2,4-dichloro-phenyl ring is almost perpendicular to the thia-diazole ring, the dihedral angle being 82.8 (2)°. The 3,5-dimethyl-phenyl ring is nearly coplanar with the thia-diazole ring, the dihedral angle being 2.7 (2)°. An intramolecular C-H⋯N hydrogen bond is present.

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