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2-Methyl-sulfanyl-1,2,4-triazolo[1,5-a]quinazolin-5(4H)-one.

ABSTRACT: The non-H atoms of the title compound, C(10)H(8)N(4)OS, lie approximately in a common plane (r.m.s. deviation = 0.058?Å). In the crystal, two mol-ecules are linked across a center of inversion by a pair of N-H?N hydrogen bonds, forming a a dimer.

SUBMITTER: Al-Salahi R

PROVIDER: S-EPMC3379379 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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2-Methyl-sulfanyl-1,2,4-triazolo[1,5-a]quinazolin-5(4H)-one.

Al-Salahi Rashad R Al-Omar Mohamed M Abbas Mohammed M Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20120519 Pt 6

The non-H atoms of the title compound, C(10)H(8)N(4)OS, lie approximately in a common plane (r.m.s. deviation = 0.058 Å). In the crystal, two mol-ecules are linked across a center of inversion by a pair of N-H⋯N hydrogen bonds, forming a a dimer. ...[more]

PMID: 22719577

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2-Methyl-sulfonyl-1,2,4-triazolo[1,5-a]quinazolin-5(4H)-one.

Project description:The triazoloquinazoline fused-ring system of the title compound, C(10)H(8)N(4)O(3)S, is essentially planar (r.m.s. deviation = 0.027?Å). In the crystal, adjacent mol-ecules are linked by N-H?O(sulfon-yl) hydrogen bonds, generating a helical chain running along the b axis.

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2-Benz-yloxy-1,2,4-triazolo[1,5-a]quinazolin-5(4H)-one.

Project description:The title compound, C(16)H(12)N(4)O(2), is a functionalized triazoloquinazoline with a substituted benz-yloxy group attached at the 2-position of a triazole spacer. The triazoloquinazoline fused-ring system is approximately planar (r.m.s. deviation = 0.016 Å) while the benzyl substituent is perpendicular to the ring system, making a dihedral angle of 65.29 (6)°. The phenyl ring of the benz-yloxy moiety is equally disordered over two sets of sites. A centrosymmetric N-H⋯N hydrogen bond connects mol-ecules into dimers.

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2-Methyl-sulfanyl-1,2,4-triazolo[1,5-a]quinazoline-5(4H)-thione.

Project description:In the title compound, C10H8N4S2, comprising fused six-, six- and five-membered rings, the mol-ecule is close to being planar (r.m.s. deviation of the non-H atoms = 0.041?Å). The S-bound methyl group is folded away from the single N atom of the triazole ring and the NH group of the six-membered ring, allowing for the formation of centrosymmetric eight-membered {?HNCN}2 synthons in the crystal. The resulting inversion dimers are connected into supra-molecular stacks aligned along the b-axis direction by ?-? inter-actions [centroid-centroid distances = 3.6531?(12) and 3.7182?(12)?Å].

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Project description:The triazoloquinazole ring system in the title compound, C(15)H(10)N(4)O(2) is approximately planar (r.m.s. deviation = 0.035?Å). The phenyl ring of the phen-oxy substitutent is aligned at 59.3?(1)° with respect to this ring system. In the crystal, two mol-ecules are linked about a center of inversion by a pair of N-H?O hydrogen bonds, generating a dimer.

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Ethyl 5-chloro-methyl-2-methyl-sulfanyl-7-phenyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.

Project description:In the title compound, C(16)H(17)ClN(4)O(2)S, the bicyclic triazolopyrimidine ring system is nearly planar and oriented with respect to the benzene ring at a dihedral angle of 87.24?(3)°. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules into centrosymmetric dimers; an intra-molecular C-H?O hydrogen bond is also present.

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Ethyl 2-benzyl-sulfanyl-7-(2-chloro-phen-yl)-5-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.

Project description:In the title compound, C(22)H(21)ClN(4)O(2)S, the bicyclic triazolopyrimidine ring system is nearly planar, and oriented at dihedral angles of 89.45?(3)° with respect to the chlorobenzene ring and 87.03?(3)° with respect to the terminal phenyl ring. In the crystal structure, mol-ecules are linked by ?-? stacking inter-actions between the triazolopyrimidine rings [centroid-centroid distances of 3.88?(1) and 3.63?(1)?Å].

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Ethyl 7-chloro-methyl-5-(2-chloro-phen-yl)-7-hydr-oxy-2-methyl-sulfanyl-4,5,6,7-tetra-hydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.

Project description:In the title compound, C(16)H(18)Cl(2)N(4)O(3)S, the five-membered ring is almost planar [maximum deviation = 0.011?(3)?Å] and the six-membered ring adopts an envelope conformation. In the crystal structure, N-H?N, O-H?N and C-H?O inter-actions link mol-ecules into a three-dimensional network.

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6-Methyl-sulfanyl-4H-pyrimido[1,6-a]pyrimidin-4-one.

Project description:Reaction of 2-(methyl-sulfan-yl)pyrimidin-4-amine with the 5-(methoxy-vinyl-idene) derivative of Meldrum's acid and subsequent heating of the product in Dowtherm fluid yielded the title compound, C(8)H(7)N(3)OS, which was proven to contain a bicyclic 4H-pyrimido[1,6-a]pyrimidine system. All non-H atoms of the mol-ecule are coplanar within 0.15?Å. The bond-length distribution in the bicyclic core shows localization of the double bonds. The geometry of the intra-molecular S?O 1,5-contact [2.534?(2)?Å] is consistent with the existence of an attractive inter-action.

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