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The structure of the title compound, C10H17N7O2, was determined using a bond-restrained Rietveld refinement which gave bond lengths and angles within the expected ranges. Although the two nearly planar (N,N-dimethylamino)methyleneamino groups are inclined at approximately 46° to the pyrazole ring, the conformations of the two amino chains are different, owing to either a repulsion effect of the pyrazole-methyl group or a short interatomic contact with the nitro group in one of the chains.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S010827010000860X/br1291sup1.cif
Contains datablocks chernyshev, I

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S010827010000860X/br1291Isup2.rtv
Contains datablock I

CCDC reference: 150862

Computing details top

Data collection: Johannson LS18 linescanner data collection program; cell refinement: LSPAID (Visser et al., 1986); data reduction: Philips Profile Fit (Philips, 1996); program(s) used to solve structure: MRIA (Zlokazov & Chernyshev, 1992); program(s) used to refine structure: MRIA; molecular graphics: PLUTON (Spek, 1997); software used to prepare material for publication: MRIA, SHELXL93 (Sheldrick, 1993) and PARST (Nardelli, 1983).

1-Methyl-3,5-di(N,N-dimethylaminomethylen)amino-4-nitropyrazol top
Crystal data top
C10H17N7O2Z = 2
Mr = 267.31F(000) = 284
Triclinic, P1Dx = 1.301 Mg m3
a = 9.577 (4) ÅCu Kα1 radiation, λ = 1.54059 Å
b = 9.972 (4) ŵ = 0.80 mm1
c = 7.602 (4) ÅT = 295 K
α = 106.11 (3)°Particle morphology: needles
β = 95.12 (3)°yellow
γ = 78.22 (3)°flat_sheet, 7 × 7 mm
V = 682.4 (6) Å3
Data collection top
Enraf-Nonius Guinier Johannson camera FR 552
diffractometer
Specimen mounting: pressed as a thin layer in the specimen holder of the camera
Radiation source: Fine focus X-ray tube, Nonius 3502.223Data collection mode: transmission
Quartz monochromatorScan method: Stationary detector
Refinement top
Refinement on Inet149 parameters
Least-squares matrix: full with fixed elements per cycle63 restraints
Rp = 0.06817 constraints
Rwp = 0.087H atoms treated by a mixture of independent and constrained refinement
Rexp = 0.033Weighting scheme based on measured s.u.'s
7101 data points(Δ/σ)max = 0.05
Excluded region(s): 4.00 - 7.99Background function: Chebyshev polynomial up to the 5th order
Profile function: split-type pseudo-VoigtPreferred orientation correction: March-Dollase (Dollase, 1986)
Special details top

Experimental. specimen was rotated in its plane

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.2844 (8)0.2175 (8)0.1494 (9)0.086 (2)*
C20.2381 (9)0.2000 (8)0.314 (1)0.086 (2)*
N30.1944 (7)0.3381 (7)0.4229 (7)0.086 (2)*
N40.1994 (6)0.4386 (6)0.3388 (7)0.086 (2)*
C50.2669 (7)0.3714 (8)0.1763 (9)0.086 (2)*
N60.3278 (6)0.1123 (6)0.0118 (7)0.086 (2)*
O70.3453 (5)0.0175 (4)0.0372 (6)0.086 (2)*
O80.3419 (5)0.1418 (5)0.1546 (5)0.086 (2)*
N90.2987 (6)0.4304 (6)0.0468 (7)0.086 (2)*
N100.2233 (6)0.0834 (7)0.3677 (7)0.086 (2)*
C110.1363 (9)0.3592 (8)0.601 (1)0.086 (2)*
C120.3277 (9)0.0317 (8)0.3374 (9)0.102 (2)*
C130.1999 (9)0.5439 (8)0.059 (1)0.102 (2)*
N140.3275 (7)0.1442 (7)0.4030 (8)0.102 (2)*
N150.2085 (8)0.6444 (7)0.0280 (7)0.102 (2)*
C160.450 (1)0.2592 (9)0.3821 (9)0.102 (2)*
C170.204 (1)0.1560 (8)0.489 (1)0.102 (2)*
C180.339 (1)0.6366 (8)0.119 (1)0.102 (2)*
C190.087 (1)0.756 (1)0.035 (1)0.102 (2)*
H200.109 (4)0.560 (4)0.129 (5)0.051*
H210.064 (4)0.294 (4)0.580 (5)0.051*
H220.223 (4)0.332 (4)0.684 (5)0.051*
H230.404 (5)0.034 (5)0.249 (5)0.051*
H240.091 (4)0.466 (4)0.644 (5)0.051*
H250.539 (5)0.212 (4)0.406 (5)0.051*
H260.444 (4)0.321 (4)0.249 (5)0.051*
H270.440 (5)0.312 (4)0.477 (5)0.051*
H280.118 (4)0.144 (4)0.399 (5)0.051*
H290.193 (5)0.075 (4)0.610 (5)0.051*
H300.226 (4)0.254 (4)0.514 (5)0.051*
H310.359 (4)0.537 (4)0.210 (5)0.051*
H320.418 (4)0.649 (4)0.016 (5)0.051*
H330.318 (5)0.718 (4)0.181 (5)0.051*
H340.060 (5)0.807 (4)0.098 (5)0.051*
H350.007 (5)0.707 (5)0.109 (5)0.051*
H360.120 (5)0.821 (4)0.100 (5)0.051*
Geometric parameters (Å, º) top
C1—N61.405 (8)N15—C181.46 (1)
C1—C21.43 (1)C11—H211.02 (4)
C1—C51.47 (1)C11—H221.03 (4)
C2—N101.37 (1)C11—H241.03 (3)
C2—N31.396 (9)C12—H231.03 (5)
N3—N41.34 (1)C13—H201.02 (4)
N3—C111.45 (1)C16—H251.03 (5)
N4—C51.378 (8)C16—H261.03 (4)
C5—N91.36 (1)C16—H271.02 (5)
N6—O81.226 (8)C17—H281.03 (4)
N6—O71.233 (7)C17—H291.04 (3)
N9—C131.306 (9)C17—H301.02 (5)
N10—C121.340 (9)C18—H311.03 (4)
C12—N141.35 (1)C18—H321.03 (4)
C13—N151.37 (1)C18—H331.03 (5)
N14—C171.44 (1)C19—H341.03 (4)
N14—C161.45 (1)C19—H351.03 (5)
N15—C191.44 (1)C19—H361.03 (5)
C5—C1—N6125.9 (7)C12—N14—C17121.1 (7)
C2—C1—N6128.3 (6)C12—N14—C16120.6 (7)
C2—C1—C5105.7 (6)C16—N14—C17118.3 (7)
C1—C2—N10133.1 (7)C13—N15—C19119.9 (7)
C1—C2—N3104.8 (6)C13—N15—C18119.9 (7)
N3—C2—N10122.0 (7)C18—N15—C19120.2 (7)
C2—N3—C11119.2 (6)N14—C16—H27106 (2)
C2—N3—N4113.6 (6)N14—C16—H26107 (2)
N4—N3—C11126.9 (6)N14—C16—H25106 (3)
N3—N4—C5107.1 (5)H26—C16—H27113 (3)
C1—C5—N4108.2 (6)H25—C16—H27113 (3)
N4—C5—N9128.3 (6)H25—C16—H26112 (3)
C1—C5—N9123.1 (7)N14—C17—H30106 (2)
C1—N6—O8122.0 (5)N14—C17—H29106 (2)
C1—N6—O7127.2 (6)N14—C17—H28107 (2)
O7—N6—O8110.5 (5)H29—C17—H30112 (3)
C5—N9—C13104.6 (6)H28—C17—H30113 (3)
C2—N10—C12119.8 (7)H28—C17—H29112 (3)
N3—C11—H24106 (2)N15—C18—H33106 (2)
N3—C11—H22106 (2)N15—C18—H32106 (3)
N3—C11—H21106 (2)N15—C18—H31106 (2)
H22—C11—H24112 (3)H32—C18—H33113 (3)
H21—C11—H24113 (3)H31—C18—H33113 (3)
H21—C11—H22113 (3)H31—C18—H32112 (3)
N10—C12—H23115 (3)N15—C19—H36106 (2)
N10—C12—N14123.0 (7)N15—C19—H35107 (3)
N14—C12—H23121 (2)N15—C19—H34107 (3)
N9—C13—H20122 (2)H35—C19—H36112 (3)
N9—C13—N15122.0 (7)H34—C19—H36112 (3)
N15—C13—H20116 (2)H34—C19—H35112 (3)
C2—C1—N6—O76 (1)N10—C12—N14—C16173.6 (7)
C1—C2—N10—N1452 (2)N9—C13—N15—C19169.8 (7)
C1—C5—N9—C13142.4 (7)
 

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