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N-(4,6-Dimethyl-pyrimidin-2-yl)-4-(oxolan-2-ylamino)benzene-sulfonamide.

ABSTRACT: The title compound, C(16)H(20)N(4)O(3)S, adopts an l-shaped conformation, as seen by the dihedral angle of 76.93 (7)° formed between the two aromatic rings. The most notable feature of the crystal packing is the formation of N-H⋯O and N-H⋯N hydrogen bonds that lead to supra-molecular chains orientated along the b axis.

SUBMITTER: Arman HD

PROVIDER: S-EPMC2971094 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)benzene-sulfonamide-benzoic acid (1/1).

Project description:The constituents of the title co-crystal, C(12)H(14)N(4)O(2)S·C(7)H(6)O(2), are connected by an eight-membered hetero-synthon {?NCNH?OCOH}, whereby the carb-oxy-lic acid forms donor and acceptor hydrogen bonds with a pyrimidine N atom and the adjacent amine, respectively. The dimeric aggregates thus formed are arranged in rows with their terminal NH(2) groups forming N-H?O hydrogen bonds with neighbouring aggregates to form a two-dimensional array in the ac plane with an overall T-shaped topology. Layers inter-digitate along the b axis being connected by C-H?O, C-H?? and ?-? [centroid-centroid distance = 3.6316?(19)?Å] inter-actions.

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4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzene-sulfonamide-4-nitro-benzoic acid (1/1).

Project description:In the asymmetric unit of the title co-crystal, C(7)H(5)NO(4)·C(12)H(14)N(4)O(2)S, there are two independent but conformationally similar heterodimers, which are formed through inter-molecular N-H?O(carb-oxy) and carbox-yl-pyrimidine O-H?N hydrogen-bond pairs, giving a cyclic motif [graph set R(2) (2)(8)]. The dihedral angles between the rings in the sulfonamide molecules are 78.77?(8) and 82.33?(9)° while the dihedral angles between the ring and the CO(2)H group in the acids are 2.19?(9) and 7.02?(10)°. A two-dimensional structure parallel to the ab plane is generated from the heterodimer units through hydrogen-bonding associations between NH(2) and sulfone groups. Between neighbouring two-dimensional arrays there are two types of aromatic ?-? stacking inter-actions involving either one of the pyrimidine rings and a 4-nitro-benzoic acid mol-ecule [minimum ring centroid separation = 3.5886?(9)?Å] or two acid mol-ecules [minimum ring centroid separation = 3.7236?(10)?Å].

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4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)benzene-sulfonamide-2-nitro-benzoic acid (1/1).

Project description:In the asymmetric unit of the title co-crystal, C(12)H(14)N(4)O(2)S·C(7)H(5)NO(4), the sulfamethazine and 2-nitro-benzoic acid mol-ecules form a heterodimer through inter-molecular amide-carb-oxy-lic acid N-H?O and carb-oxy-lic acid-pyrimidine O-H?N hydrogen-bond pairs, giving a cyclic motif [graph set R(2) (2)(8)]. The dihedral angle between the two aromatic ring systems in the sulfamethazine mol-ecule is 88.96?(18)° and the nitro group of the acid is 50% rotationally disordered. Secondary aniline N-H?O(sulfone) hydrogen-bonding associations give a two-dimensional structure lying parallel to the ab plane.

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4-[(5-Bromo-2-hydroxy-benzyl-idene)amino]-N-(4,6-dimethyl-pyrimidin-2-yl)benzene-sulfonamide-4-bromo-2-[(E)-({4-[(4,6-dimethyl-pyrimidin-2-yl)sulfamo-yl]phen-yl}iminio)meth-yl]phenolate [0.61?(7)/0.39?(7)].

Project description:The title compound, 0.61C(19)H(17)BrN(4)O(3)S·0.39C(19)H(17)BrN(4)O(3)S, is a Schiff base derived from 5-bromo-salicylaldehyde and 4-amino-N-(4,6-dimethyl-2-pyrimidin-yl)benzene-sulfonamide(sulfamethazine) and is isostructural with its chloro analogue. The geometry of the title mol-ecule points to the enol (OH-C=C-C=N) form as the major tautomer, however two electron-density maxima corresponding to the H atoms of the OH and NH groups, found in the region of a strong intra-molecular N?H?O hydrogen bond, do not allow the elimination of the presence of the zwitterionic (O(-)-C=C-C=NH(+)) form in the crystal. Refinement of the occupancies of these H atoms gave a 0.61?(7):0.39?(7) ratio of the enolic and zwitterionic forms. The two benzene rings within the mol-ecule are nearly coplanar and the central benzene ring forms a dihedral angle of 84.1?(1)° with the pyrimidine fragment. An inter-molecular N-H?O hydrogen bond links mol-ecules into chains extended along the a axis and a C-H?O link is also present. The H atoms of one of the methyl groups are disordered over two sites with an occupancy ratio of 0.72?(7):0.28?(7).

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Project description:Bis[2-(4,6-dimethyl-pyrimidin-2-ylsulfan-yl)eth-yl]amine under hydro-thermal conditions has unexpectedly been transformed into the title compound, C(32)H(44)N(10)S(4). In the title mol-ecule, the zigzag 3,10-diaza-6,7-disulfanyldodecyl skeleton has two dimethyl-pyrimidinylsulfanyl groups at both ends, and the aza atoms each carry a dimethyl-pyrimidinyl unit. The N atoms in the skeleton show a planar coordination.

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1-(4,6-Dimethyl-pyrimidin-2-yl)thio-urea.

Project description:In the crystal structure of the title compound, C(7)H(10)N(4)S, weak inter-molecular N-H⋯S inter-actions form a two-dimensional network parallel to the ab plane. An intra-molecular N-H⋯N hydrogen bond occurs.

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N-(3,4-Dimethyl-phen-yl)-2,4-dimethyl-benzene-sulfonamide.

Project description:In the title compound, C(16)H(19)NO(2)S, the dihedral angle between the aromatic rings is 47.2?(2)°. The crystal structure features zigzag C(4) chains linked by N-H?O hydrogen bonds.

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N-(3,5-Dimethyl-phen-yl)-2,4-dimethyl-benzene-sulfonamide.

Project description:In the title compound, C(16)H(19)NO(2)S, the mol-ecule is twisted about the S-N bond, the C-S(O(2))-N(H)-C torsion angle being 53.9?(2)°. The dihedral angle between the two benzene rings is 82.1?(1)°. The crystal structure features inversion-related dimers linked by N-H?O hydrogen bonds.

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N-(2,4-Dimethyl-phen-yl)-2,4-dimethyl-benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(16)H(19)NO(2)S, the mol-ecule is bent at the S atom with a C-SO(2)-NH-C torsion angle of 66.5?(2)°. The dihedral angle between the sulfonyl and aniline benzene rings in the mol-ecule is 41.0?(1)°. The crystal structure features inversion dimers linked by pairs of N-H?O hydrogen bonds.

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